1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one

C23H33N3O — CID 67587431

IUPAC1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H33N3O/c27-23-12-11-21-9-4-5-10-22(21)26(23)14-6-13-24-15-17-25(18-16-24)19-20-7-2-1-3-8-20/h4-5,9-12,20H,1-3,6-8,13-19H2
InChIKeyHRJDEIANJRCWQE-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.59
Rot. Bonds6

About 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one

1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one (PubChem CID 67587431) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one
PubChem CID67587431
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1CCCN1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H33N3O/c27-23-12-11-21-9-4-5-10-22(21)26(23)14-6-13-24-15-17-25(18-16-24)19-20-7-2-1-3-8-20/h4-5,9-12,20H,1-3,6-8,13-19H2
InChIKeyHRJDEIANJRCWQE-UHFFFAOYSA-N
XLogP3.59
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fentanyl
CID 3345
Crotamiton
CID 2883
3-Methylfentanyl
CID 61996
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
CID 621174
alpha-Methylfentanyl
CID 62281
N-Ethyl-o-crotonotoluidide
CID 688020
N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide
CID 252141
3-Methylfentanyl, cis-
CID 3041260
Acetylfentanyl
CID 527015
Fentanyl Hydrochloride
CID 83932
1-Methyl-2-quinolone
CID 11820
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-2-propenamide
CID 10314851

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one?
The IUPAC name of 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one (CID 67587431) is 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one.
What is the SMILES notation for 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one?
The canonical SMILES for 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one is O=c1ccc2ccccc2n1CCCN1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one?
The InChIKey is HRJDEIANJRCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c27-23-12-11-21-9-4-5-10-22(21)26(23)14-6-13-24-15-17-25(18-16-24)19-20-7-2-1-3-8-20/h4-5,9-12,20H,1-3,6-8,13-19H2.
What are the key properties of 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one?
1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one has a molecular weight of 367.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(cyclohexylmethyl)piperazin-1-yl]propyl]quinolin-2-one is sourced from PubChem (CID 67587431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).