4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide

C15H18N2O3 — CID 54363535

IUPAC4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H18N2O3/c18-11-13(10-12-4-2-1-3-5-12)16-15(20)17-8-6-14(19)7-9-17/h1-5,11,13H,6-10H2,(H,16,20)/t13-/m0/s1
InChIKeyKKQZQRJVMLEZEZ-ZDUSSCGKSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds4

About 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide

4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide (PubChem CID 54363535) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide
PubChem CID54363535
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide
SMILESO=C[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H18N2O3/c18-11-13(10-12-4-2-1-3-5-12)16-15(20)17-8-6-14(19)7-9-17/h1-5,11,13H,6-10H2,(H,16,20)/t13-/m0/s1
InChIKeyKKQZQRJVMLEZEZ-ZDUSSCGKSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 41094026
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
CID 18607776
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide
CID 118478029
2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid
CID 129141821

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide (CID 54363535) is 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide is O=C[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1.
What is the InChIKey of 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide?
The InChIKey is KKQZQRJVMLEZEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-11-13(10-12-4-2-1-3-5-12)16-15(20)17-8-6-14(19)7-9-17/h1-5,11,13H,6-10H2,(H,16,20)/t13-/m0/s1.
What are the key properties of 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide?
4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 54363535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).