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

C22H27Cl2N3O2 — CID 119949566

IUPAC3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16;/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27);1H
InChIKeyGYPBSEOVDHCOLY-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.80
Rot. Bonds5

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

3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949566) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949566
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16;/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27);1H
InChIKeyGYPBSEOVDHCOLY-UHFFFAOYSA-N
XLogP4.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.80
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]-3-phenylpropanamide
CID 119949567
4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119283706
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029
2-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-N-(2-methoxyphenyl)acetamide
CID 55918321
(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]oxane-4-carboxamide;hydrochloride
CID 120922768
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
N-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 119435206

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride (CID 119949566) is 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is GYPBSEOVDHCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2.ClH/c1-15-7-5-6-12-26(15)22(28)18-11-10-17(13-19(18)23)25-21(27)14-20(24)16-8-3-2-4-9-16;/h2-4,8-11,13,15,20H,5-7,12,14,24H2,1H3,(H,25,27);1H.
What are the key properties of 3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 436.38 g/mol, XLogP of 4.80, 5 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]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).