1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C18H22N4O2S — CID 17018978

IUPAC1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)16-20-21-18(25-16)19-15(23)13-8-10-22(11-9-13)17(24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,21,23)
InChIKeyZIBZWQDXUCLPRW-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.15
Rot. Bonds4

About 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17018978) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID17018978
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N4O2S/c1-12(2)16-20-21-18(25-16)19-15(23)13-8-10-22(11-9-13)17(24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,21,23)
InChIKeyZIBZWQDXUCLPRW-UHFFFAOYSA-N
XLogP3.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018993
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
1-(4-fluorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 18103517
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 41025280
1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 1458195
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224045

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 17018978) is 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZIBZWQDXUCLPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(2)16-20-21-18(25-16)19-15(23)13-8-10-22(11-9-13)17(24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,21,23).
What are the key properties of 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17018978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).