1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide

C18H28N4O2S — CID 72914921

IUPAC1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H28N4O2S/c1-12(2)16-15(25-21-20-16)11-19-17(23)13-7-9-22(10-8-13)18(24)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyKBAVHHQWUIYYJP-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.71
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 72914921) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID72914921
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H28N4O2S/c1-12(2)16-15(25-21-20-16)11-19-17(23)13-7-9-22(10-8-13)18(24)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,19,23)
InChIKeyKBAVHHQWUIYYJP-UHFFFAOYSA-N
XLogP2.71
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 72863721
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
CID 118777990
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881490
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
1-(cyclopentanecarbonyl)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 72936545
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72887342
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
1-(cyclohexanecarbonyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390073
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 72914921) is 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is CC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KBAVHHQWUIYYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-12(2)16-15(25-21-20-16)11-19-17(23)13-7-9-22(10-8-13)18(24)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,19,23).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72914921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).