6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

CAS: 419558-95-5

Formula: C18H22N2O3

SMILES: OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)C1=CC=CC=C1

IUPAC: 6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1/C18H22N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-7,15-16H,8-13H2,(H,22,23)

Composition: C (68.77%), H (7.05%), N (8.91%), O (15.27%)

Molar Mass: 314.385

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	314.163042576
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HNQQDXNTKOUXOE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.37
Topological Polar Surface Area	60.85
Polarizability	33.6
Ring Count	3
Rotatable Bond Count	3

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