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

C20H29Cl2N3O2 — CID 119713029

IUPAC3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C20H28ClN3O2.ClH/c1-13-5-2-3-10-24(13)20(26)17-9-8-16(12-18(17)21)23-19(25)14-6-4-7-15(22)11-14;/h8-9,12-15H,2-7,10-11,22H2,1H3,(H,23,25);1H
InChIKeyBJHHKDJFIPUGJU-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.23
Rot. Bonds3

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

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119713029) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119713029
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C20H28ClN3O2.ClH/c1-13-5-2-3-10-24(13)20(26)17-9-8-16(12-18(17)21)23-19(25)14-6-4-7-15(22)11-14;/h8-9,12-15H,2-7,10-11,22H2,1H3,(H,23,25);1H
InChIKeyBJHHKDJFIPUGJU-UHFFFAOYSA-N
XLogP4.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.23
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]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
(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
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
CID 119713018
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
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
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119713029) is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is BJHHKDJFIPUGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2.ClH/c1-13-5-2-3-10-24(13)20(26)17-9-8-16(12-18(17)21)23-19(25)14-6-4-7-15(22)11-14;/h8-9,12-15H,2-7,10-11,22H2,1H3,(H,23,25);1H.
What are the key properties of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 414.38 g/mol, XLogP of 4.23, 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]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119713029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).