1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide

C19H30N4O2S — CID 72895733

IUPAC1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2S/c1-13(2)18-16(26-22-21-18)10-20-19(25)15-8-9-17(24)23(12-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyRHQLMACPMAFTEZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.10
Rot. Bonds6

About 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide

1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 72895733) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID72895733
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C19H30N4O2S/c1-13(2)18-16(26-22-21-18)10-20-19(25)15-8-9-17(24)23(12-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,25)
InChIKeyRHQLMACPMAFTEZ-UHFFFAOYSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~3~-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 50978391
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
1-(cyclobutylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72840668
1-(cyclopropylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72850284
1-isopropyl-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72863721
1-(cyclopentylcarbonyl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4-piperidinecarboxamide
CID 72914921
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
(2S)-1-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 97873859
4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 166239910
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]acetamide
CID 50953557
N-(cyclohexylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 138996222
4-ethyl-N-[[1-(4-methylpiperidin-1-yl)cyclohexyl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 22694237

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 72895733) is 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide is CC(C)c1nnsc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RHQLMACPMAFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-13(2)18-16(26-22-21-18)10-20-19(25)15-8-9-17(24)23(12-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,25).
What are the key properties of 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide?
1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-oxo-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72895733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).