1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide

C15H21N3O2 — CID 119275697

IUPAC1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](N)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-11(16)15(20)18-9-5-6-12(10-18)14(19)17-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyMTTYRYPVFARFFI-JHJMLUEUSA-N
MW275.35 g/mol
LogP1.21
Rot. Bonds3

About 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide

1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 119275697) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID119275697
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](N)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H21N3O2/c1-11(16)15(20)18-9-5-6-12(10-18)14(19)17-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3,(H,17,19)/t11-,12?/m1/s1
InChIKeyMTTYRYPVFARFFI-JHJMLUEUSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid
CID 146135967
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide (CID 119275697) is 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide is C[C@@H](N)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is MTTYRYPVFARFFI-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(16)15(20)18-9-5-6-12(10-18)14(19)17-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9-10,16H2,1H3,(H,17,19)/t11-,12?/m1/s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide?
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 119275697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).