1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide

C22H29N3O2S — CID 110308146

IUPAC1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
SMILESCc1csc(C(CC(C)C)NC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O2S/c1-15(2)13-19(21-23-16(3)14-28-21)24-20(26)17-9-11-25(12-10-17)22(27)18-7-5-4-6-8-18/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,24,26)
InChIKeyXXDWGQZZZQIVKL-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.21
Rot. Bonds6

About 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide

1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide (PubChem CID 110308146) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
PubChem CID110308146
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
SMILESCc1csc(C(CC(C)C)NC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O2S/c1-15(2)13-19(21-23-16(3)14-28-21)24-20(26)17-9-11-25(12-10-17)22(27)18-7-5-4-6-8-18/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,24,26)
InChIKeyXXDWGQZZZQIVKL-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
N-(4-methyl-1,3-thiazol-2-yl)-1-[4-(phenoxymethyl)benzoyl]piperidine-4-carboxamide
CID 55952791
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
1-[4-(difluoromethylsulfonyl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952007
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide (CID 110308146) is 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide is Cc1csc(C(CC(C)C)NC(=O)C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide?
The InChIKey is XXDWGQZZZQIVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-15(2)13-19(21-23-16(3)14-28-21)24-20(26)17-9-11-25(12-10-17)22(27)18-7-5-4-6-8-18/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,24,26).
What are the key properties of 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide?
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide is sourced from PubChem (CID 110308146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).