1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide

C17H26N4O2S — CID 72846373

IUPAC1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1C
InChIInChI=1S/C17H26N4O2S/c1-20-14(11-19-17(20)24-2)10-18-15(22)12-6-8-21(9-7-12)16(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyGFEFZENQJCDPTC-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.80
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 72846373) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID72846373
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCSc1ncc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1C
InChIInChI=1S/C17H26N4O2S/c1-20-14(11-19-17(20)24-2)10-18-15(22)12-6-8-21(9-7-12)16(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyGFEFZENQJCDPTC-UHFFFAOYSA-N
XLogP1.80
TPSA67.23 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide (CID 72846373) is 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide is CSc1ncc(CNC(=O)C2CCN(C(=O)C3CCC3)CC2)n1C.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GFEFZENQJCDPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-20-14(11-19-17(20)24-2)10-18-15(22)12-6-8-21(9-7-12)16(23)13-4-3-5-13/h11-13H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72846373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).