3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C19H27Cl2N3O2 — CID 119713023

IUPAC3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-12-4-2-3-9-23(12)19(25)16-8-7-15(11-17(16)20)22-18(24)13-5-6-14(21)10-13;/h7-8,11-14H,2-6,9-10,21H2,1H3,(H,22,24);1H
InChIKeyQONMSKZJUSFXQP-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.84
Rot. Bonds3

About 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119713023) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119713023
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C19H26ClN3O2.ClH/c1-12-4-2-3-9-23(12)19(25)16-8-7-15(11-17(16)20)22-18(24)13-5-6-14(21)10-13;/h7-8,11-14H,2-6,9-10,21H2,1H3,(H,22,24);1H
InChIKeyQONMSKZJUSFXQP-UHFFFAOYSA-N
XLogP3.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029
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CID 119711657
(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786482
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119283706
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
CID 119713018
4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922768
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119713023) is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QONMSKZJUSFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2.ClH/c1-12-4-2-3-9-23(12)19(25)16-8-7-15(11-17(16)20)22-18(24)13-5-6-14(21)10-13;/h7-8,11-14H,2-6,9-10,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119713023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).