(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide

C14H20N2O2S — CID 99564667

IUPAC(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)Nc2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c1-2-4-13(17)16-7-3-5-11(9-16)14(18)15-12-6-8-19-10-12/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWPLPWXMMXDBLLT-NSHDSACASA-N
MW280.39 g/mol
LogP2.73
Rot. Bonds4

About (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide

(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide (PubChem CID 99564667) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
PubChem CID99564667
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC[C@H](C(=O)Nc2ccsc2)C1
InChIInChI=1S/C14H20N2O2S/c1-2-4-13(17)16-7-3-5-11(9-16)14(18)15-12-6-8-19-10-12/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWPLPWXMMXDBLLT-NSHDSACASA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 55910927
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
N-(5-amino-2-methylphenyl)-1-butanoylpiperidine-3-carboxamide
CID 120568749
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169
4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
CID 56538808

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide (CID 99564667) is (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide is CCCC(=O)N1CCC[C@H](C(=O)Nc2ccsc2)C1.
What is the InChIKey of (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide?
The InChIKey is WPLPWXMMXDBLLT-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-4-13(17)16-7-3-5-11(9-16)14(18)15-12-6-8-19-10-12/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide?
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 99564667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).