2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H20N4O3 — CID 94190647

IUPAC2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C13H20N4O3/c1-9-6-12(16-20-9)15-13(19)8-17-5-3-4-11(7-17)14-10(2)18/h6,11H,3-5,7-8H2,1-2H3,(H,14,18)(H,15,16,19)/t11-/m0/s1
InChIKeyQCPFQNSQEAMIND-NSHDSACASA-N
MW280.33 g/mol
LogP0.52
Rot. Bonds4

About 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 94190647) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID94190647
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C13H20N4O3/c1-9-6-12(16-20-9)15-13(19)8-17-5-3-4-11(7-17)14-10(2)18/h6,11H,3-5,7-8H2,1-2H3,(H,14,18)(H,15,16,19)/t11-/m0/s1
InChIKeyQCPFQNSQEAMIND-NSHDSACASA-N
XLogP0.52
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)piperidine-1-carboxamide
CID 94798808
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 87017774

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 94190647) is 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CC(=O)N[C@H]1CCCN(CC(=O)Nc2cc(C)on2)C1.
What is the InChIKey of 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QCPFQNSQEAMIND-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-6-12(16-20-9)15-13(19)8-17-5-3-4-11(7-17)14-10(2)18/h6,11H,3-5,7-8H2,1-2H3,(H,14,18)(H,15,16,19)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 94190647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).