1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide

C12H16N2O2S — CID 60680965

IUPAC1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c13-12(16)9-4-1-2-6-14(9)8-10(15)11-5-3-7-17-11/h3,5,7,9H,1-2,4,6,8H2,(H2,13,16)
InChIKeyFYBVERFONONPCM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.27
Rot. Bonds4

About 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide

1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide (PubChem CID 60680965) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
PubChem CID60680965
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C12H16N2O2S/c13-12(16)9-4-1-2-6-14(9)8-10(15)11-5-3-7-17-11/h3,5,7,9H,1-2,4,6,8H2,(H2,13,16)
InChIKeyFYBVERFONONPCM-UHFFFAOYSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
CID 62037244
tert-butyl N-[[(2R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 97174280
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)piperidin-2-yl]methyl]carbamate
CID 71632253
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
CID 2341406

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide (CID 60680965) is 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1CC(=O)c1cccs1.
What is the InChIKey of 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide?
The InChIKey is FYBVERFONONPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-12(16)9-4-1-2-6-14(9)8-10(15)11-5-3-7-17-11/h3,5,7,9H,1-2,4,6,8H2,(H2,13,16).
What are the key properties of 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide?
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 60680965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).