1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C19H30N2O2S — CID 87025148

IUPAC1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NC(c2cccs2)C(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2S/c1-5-7-16(22)21-11-9-14(10-12-21)18(23)20-17(19(2,3)4)15-8-6-13-24-15/h6,8,13-14,17H,5,7,9-12H2,1-4H3,(H,20,23)
InChIKeyXVYNFIZVWQUCLO-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.99
Rot. Bonds5

About 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 87025148) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID87025148
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NC(c2cccs2)C(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2S/c1-5-7-16(22)21-11-9-14(10-12-21)18(23)20-17(19(2,3)4)15-8-6-13-24-15/h6,8,13-14,17H,5,7,9-12H2,1-4H3,(H,20,23)
InChIKeyXVYNFIZVWQUCLO-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55661869
2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 60507562
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55661871
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55661621
N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
CID 87025726
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921437
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78887945
2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
1-(2,2-dimethylpropanoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 55454351
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 87025148) is 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NC(c2cccs2)C(C)(C)C)CC1.
What is the InChIKey of 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is XVYNFIZVWQUCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-5-7-16(22)21-11-9-14(10-12-21)18(23)20-17(19(2,3)4)15-8-6-13-24-15/h6,8,13-14,17H,5,7,9-12H2,1-4H3,(H,20,23).
What are the key properties of 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 87025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).