1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C18H21N3O2S — CID 18130138

IUPAC1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C18H21N3O2S/c1-13(22)21-9-7-15(8-10-21)17(23)20-18-19-12-16(24-18)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,19,20,23)
InChIKeyDMINLTGNXSFZBT-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.93
Rot. Bonds4

About 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 18130138) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID18130138
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C18H21N3O2S/c1-13(22)21-9-7-15(8-10-21)17(23)20-18-19-12-16(24-18)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,19,20,23)
InChIKeyDMINLTGNXSFZBT-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
4-N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 78883719
tert-butyl 4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46525028
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
1-[[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074653
N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51081209
1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-butanoylpiperidine-4-carboxamide
CID 55880655
1-butanoyl-N-[5-[(2-chloro-3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55871777

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 18130138) is 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1.
What is the InChIKey of 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is DMINLTGNXSFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)21-9-7-15(8-10-21)17(23)20-18-19-12-16(24-18)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,19,20,23).
What are the key properties of 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 18130138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).