1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C17H27N3O2S — CID 46390074

IUPAC1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)NCCc2cscn2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-13(4-2)17(22)20-9-6-14(7-10-20)16(21)18-8-5-15-11-23-12-19-15/h11-14H,3-10H2,1-2H3,(H,18,21)
InChIKeyNBTCKZRRPGVQPM-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390074) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390074
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)NCCc2cscn2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-13(4-2)17(22)20-9-6-14(7-10-20)16(21)18-8-5-15-11-23-12-19-15/h11-14H,3-10H2,1-2H3,(H,18,21)
InChIKeyNBTCKZRRPGVQPM-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
1-(2-cyclopentylacetyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390075
1-(2-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390077
2-ethyl-1-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110646105
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 42514879
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353862

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390074) is 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(C(=O)NCCc2cscn2)CC1.
What is the InChIKey of 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NBTCKZRRPGVQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-13(4-2)17(22)20-9-6-14(7-10-20)16(21)18-8-5-15-11-23-12-19-15/h11-14H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).