1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide

C12H15ClN2O2S — CID 110767679

IUPAC1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O2S/c13-10-2-1-9(18-10)7-11(16)15-5-3-8(4-6-15)12(14)17/h1-2,8H,3-7H2,(H2,14,17)
InChIKeyRWGKMOAEMLDHPR-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide

1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide (PubChem CID 110767679) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
PubChem CID110767679
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C12H15ClN2O2S/c13-10-2-1-9(18-10)7-11(16)15-5-3-8(4-6-15)12(14)17/h1-2,8H,3-7H2,(H2,14,17)
InChIKeyRWGKMOAEMLDHPR-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 110806581
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
1-[(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoyl]piperidine-4-carboxamide
CID 95568313
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106036897
1-[4-[2-(5-chlorothiophen-2-yl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110815872
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 56815752
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide (CID 110767679) is 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is RWGKMOAEMLDHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c13-10-2-1-9(18-10)7-11(16)15-5-3-8(4-6-15)12(14)17/h1-2,8H,3-7H2,(H2,14,17).
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide?
1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 286.78 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).