1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

C12H16N2O2S — CID 762561

IUPAC1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C12H16N2O2S/c13-12(16)9-3-5-14(6-4-9)11(15)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H2,13,16)
InChIKeyWBWCLSDBZOUQEK-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide

1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (PubChem CID 762561) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
PubChem CID762561
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2cccs2)CC1
InChIInChI=1S/C12H16N2O2S/c13-12(16)9-3-5-14(6-4-9)11(15)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H2,13,16)
InChIKeyWBWCLSDBZOUQEK-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
N-Allyl-N-ethyl(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide
CID 25150535
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-yl)cyclopropanecarboxamide
CID 44448582
1-(1-Oxo-2-thiophen-2-ylethyl)-4-piperidinecarboxylic acid ethyl ester
CID 670001
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N,N-Diallyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarbamide
CID 25150621
cis-(1S,2S)-2-(aminomethyl)-N,N-diethyl-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 49797285
1-(4-Oxo-4-thiophen-2-ylbutanoyl)piperidine-4-carboxamide
CID 4782776
1-(4-Oxo-4-(thiophen-2-yl)butanoyl)piperidine-3-carboxamide
CID 4878804
1-[4-(5-Methyl-2-thienyl)-1,4-dioxobutyl]-4-piperidinecarboxamide
CID 9441004
1-(2-Thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 24685250
cis-(1R,2R)-2-(aminomethyl)-N,N-bis(prop-2-enyl)-1-thiophen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 25150622

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide (CID 762561) is 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2cccs2)CC1.
What is the InChIKey of 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
The InChIKey is WBWCLSDBZOUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-12(16)9-3-5-14(6-4-9)11(15)8-10-2-1-7-17-10/h1-2,7,9H,3-6,8H2,(H2,13,16).
What are the key properties of 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide?
1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 762561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).