N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide

C18H26N2O2 — CID 110347349

IUPACN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-2-9-17(21)19-16(14-15-10-5-3-6-11-15)18(22)20-12-7-4-8-13-20/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyNXHYGFQEUQZSGJ-INIZCTEOSA-N
MW302.42 g/mol
LogP2.53
Rot. Bonds6

About N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide (PubChem CID 110347349) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
PubChem CID110347349
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-2-9-17(21)19-16(14-15-10-5-3-6-11-15)18(22)20-12-7-4-8-13-20/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyNXHYGFQEUQZSGJ-INIZCTEOSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
(Z)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]octadec-9-enamide
CID 14500780
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 95288338
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 120610126
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide (CID 110347349) is N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide is CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide?
The InChIKey is NXHYGFQEUQZSGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-9-17(21)19-16(14-15-10-5-3-6-11-15)18(22)20-12-7-4-8-13-20/h3,5-6,10-11,16H,2,4,7-9,12-14H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide?
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide is sourced from PubChem (CID 110347349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).