2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

C21H25N3O2 — CID 119283677

IUPAC2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-5-6-14-24(15)21(26)17-10-12-18(13-11-17)23-20(25)19(22)16-8-3-2-4-9-16/h2-4,8-13,15,19H,5-7,14,22H2,1H3,(H,23,25)
InChIKeyBVMZKBZPEXAGLQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.34
Rot. Bonds4

About 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide

2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (PubChem CID 119283677) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
PubChem CID119283677
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C(N)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-15-7-5-6-14-24(15)21(26)17-10-12-18(13-11-17)23-20(25)19(22)16-8-3-2-4-9-16/h2-4,8-13,15,19H,5-7,14,22H2,1H3,(H,23,25)
InChIKeyBVMZKBZPEXAGLQ-UHFFFAOYSA-N
XLogP3.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
CID 27892566
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065358
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 119322257
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
(2-methylpiperidin-1-yl)-[4-(2-phenylethynyl)phenyl]methanone
CID 24640330
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide (CID 119283677) is 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is CC1CCCCN1C(=O)c1ccc(NC(=O)C(N)c2ccccc2)cc1.
What is the InChIKey of 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
The InChIKey is BVMZKBZPEXAGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-5-6-14-24(15)21(26)17-10-12-18(13-11-17)23-20(25)19(22)16-8-3-2-4-9-16/h2-4,8-13,15,19H,5-7,14,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide?
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide has a molecular weight of 351.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 119283677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).