1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide

C17H25N3O2 — CID 9443521

IUPAC1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)NCCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O2/c1-13(20-11-8-15(9-12-20)16(18)21)17(22)19-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1
InChIKeyDQZFMPDEIYJBID-ZDUSSCGKSA-N
MW303.41 g/mol
LogP0.93
Rot. Bonds6

About 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide

1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide (PubChem CID 9443521) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
PubChem CID9443521
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)NCCc1ccccc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O2/c1-13(20-11-8-15(9-12-20)16(18)21)17(22)19-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1
InChIKeyDQZFMPDEIYJBID-ZDUSSCGKSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55504232
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120760797
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide (CID 9443521) is 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide is C[C@@H](C(=O)NCCc1ccccc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is DQZFMPDEIYJBID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(20-11-8-15(9-12-20)16(18)21)17(22)19-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide?
1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9443521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).