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

C17H26N4O2S — CID 72840668

IUPAC1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-11(2)15-14(24-20-19-15)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyORCLJMQIYRBRSP-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.32
Rot. Bonds5

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

1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 72840668) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID72840668
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H26N4O2S/c1-11(2)15-14(24-20-19-15)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyORCLJMQIYRBRSP-UHFFFAOYSA-N
XLogP2.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 72840668) is 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is CC(C)c1nnsc1CNC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ORCLJMQIYRBRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-11(2)15-14(24-20-19-15)10-18-16(22)12-6-8-21(9-7-12)17(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).