N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride

C19H27Cl2N3O2 — CID 119565789

IUPACN-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C19H26ClN3O2.ClH/c20-16-7-5-14(6-8-16)18(25)23-11-3-4-15(12-23)17(24)22-19(13-21)9-1-2-10-19;/h5-8,15H,1-4,9-13,21H2,(H,22,24);1H
InChIKeyOKKYHRKGVQCCPA-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119565789) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119565789
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C19H26ClN3O2.ClH/c20-16-7-5-14(6-8-16)18(25)23-11-3-4-15(12-23)17(24)22-19(13-21)9-1-2-10-19;/h5-8,15H,1-4,9-13,21H2,(H,22,24);1H
InChIKeyOKKYHRKGVQCCPA-UHFFFAOYSA-N
XLogP3.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3S)-1-(4-chlorobenzoyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 9437422
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3S)-1-(4-chlorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 31297423
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119565789) is N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is OKKYHRKGVQCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2.ClH/c20-16-7-5-14(6-8-16)18(25)23-11-3-4-15(12-23)17(24)22-19(13-21)9-1-2-10-19;/h5-8,15H,1-4,9-13,21H2,(H,22,24);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119565789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).