1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C19H20N4O3 — CID 133442836

IUPAC1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(C#N)c(N2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C19H20N4O3/c1-12-9-18(22-26-12)21-19(25)14-5-7-23(8-6-14)17-10-15(13(2)24)3-4-16(17)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyWDWSLJOIKZTARW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 133442836) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID133442836
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(C#N)c(N2CCC(C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C19H20N4O3/c1-12-9-18(22-26-12)21-19(25)14-5-7-23(8-6-14)17-10-15(13(2)24)3-4-16(17)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,21,22,25)
InChIKeyWDWSLJOIKZTARW-UHFFFAOYSA-N
XLogP2.91
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-acetyl-2-cyanophenyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133442951
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-[2-(methylcarbamoyl)-4-nitrophenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305531
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
4-acetyl-2-(4-methylazepan-1-yl)benzonitrile
CID 133442969
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxamide
CID 55638263
1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 136547756
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 134026755
1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51300270
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
4-acetyl-2-[4-(2-chlorophenyl)piperazin-1-yl]benzonitrile
CID 133465815

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 133442836) is 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is CC(=O)c1ccc(C#N)c(N2CCC(C(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is WDWSLJOIKZTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-9-18(22-26-12)21-19(25)14-5-7-23(8-6-14)17-10-15(13(2)24)3-4-16(17)11-20/h3-4,9-10,14H,5-8H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-cyanophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133442836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).