(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C21H32ClN3O — CID 120994311

IUPAC(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCC(c2ccccc2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H31N3O.ClH/c25-21(24-13-10-20(16-24)23-14-11-22-12-15-23)19-8-6-18(7-9-19)17-4-2-1-3-5-17;/h1-5,18-20,22H,6-16H2;1H
InChIKeySGUIKHJXORBPGF-UHFFFAOYSA-N
MW377.96 g/mol
LogP2.89
Rot. Bonds3

About (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120994311) has the molecular formula C21H32ClN3O and a molecular weight of 377.96 g/mol. Its IUPAC name is (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120994311
Molecular FormulaC21H32ClN3O
Molecular Weight377.96 g/mol
Exact Mass377.22
IUPAC Name(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCC(c2ccccc2)CC1)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H31N3O.ClH/c25-21(24-13-10-20(16-24)23-14-11-22-12-15-23)19-8-6-18(7-9-19)17-4-2-1-3-5-17;/h1-5,18-20,22H,6-16H2;1H
InChIKeySGUIKHJXORBPGF-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride 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

(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120997845
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995506
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997781

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120994311) is (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(C1CCC(c2ccccc2)CC1)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is SGUIKHJXORBPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O.ClH/c25-21(24-13-10-20(16-24)23-14-11-22-12-15-23)19-8-6-18(7-9-19)17-4-2-1-3-5-17;/h1-5,18-20,22H,6-16H2;1H.
What are the key properties of (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120994311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).