1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 103195275

IUPAC1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(17,13-8-4-3-5-9-13)15(21)19-10-6-7-12(11-19)14(20)18-2/h3-5,8-9,12H,6-7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHDDLISOIBYAEQJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.85
Rot. Bonds3

About 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195275) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103195275
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-16(17,13-8-4-3-5-9-13)15(21)19-10-6-7-12(11-19)14(20)18-2/h3-5,8-9,12H,6-7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHDDLISOIBYAEQJ-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide (CID 103195275) is 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is HDDLISOIBYAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(17,13-8-4-3-5-9-13)15(21)19-10-6-7-12(11-19)14(20)18-2/h3-5,8-9,12H,6-7,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).