(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride

C18H27ClN2O — CID 119316131

IUPAC(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-18(11-4-5-12-18)17(21)20-13-6-9-16(10-14-20)15-7-2-1-3-8-15;/h1-3,7-8,16H,4-6,9-14,19H2;1H
InChIKeyCAAAKQBRMORVDR-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.48
Rot. Bonds2

About (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride

(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride (PubChem CID 119316131) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
PubChem CID119316131
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCCC(c3ccccc3)CC2)CCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-18(11-4-5-12-18)17(21)20-13-6-9-16(10-14-20)15-7-2-1-3-8-15;/h1-3,7-8,16H,4-6,9-14,19H2;1H
InChIKeyCAAAKQBRMORVDR-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-aminocyclopentyl)-(4-phenylazepan-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

(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
(2S)-2-amino-4-methyl-1-(4-phenylazepan-1-yl)pentan-1-one;hydrochloride
CID 119770865
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
1-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285410

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride (CID 119316131) is (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCCC(c3ccccc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride?
The InChIKey is CAAAKQBRMORVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-18(11-4-5-12-18)17(21)20-13-6-9-16(10-14-20)15-7-2-1-3-8-15;/h1-3,7-8,16H,4-6,9-14,19H2;1H.
What are the key properties of (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride?
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119316131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).