1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C18H22N4O3 — CID 94566097

IUPAC1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)20-18(24)14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,21,24)/t16-/m0/s1
InChIKeyWHPOGQLFXLATFC-INIZCTEOSA-N
MW342.40 g/mol
LogP1.86
Rot. Bonds5

About 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 94566097) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID94566097
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)20-18(24)14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,21,24)/t16-/m0/s1
InChIKeyWHPOGQLFXLATFC-INIZCTEOSA-N
XLogP1.86
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 95583405
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071798
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 166276398
4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
CID 46595293
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 3160086
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 94566097) is 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN([C@H](C(N)=O)c3ccccc3)CC2)no1.
What is the InChIKey of 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is WHPOGQLFXLATFC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)20-18(24)14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,21,24)/t16-/m0/s1.
What are the key properties of 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 94566097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).