N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide

C20H31N3O2S — CID 71842037

IUPACN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCCC(c2nc(CNC(=O)C3CCC3)cs2)C1
InChIInChI=1S/C20H31N3O2S/c1-20(2,3)10-17(24)23-9-5-8-15(12-23)19-22-16(13-26-19)11-21-18(25)14-6-4-7-14/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyPQXILVBRIUYZSF-UHFFFAOYSA-N
MW377.55 g/mol
LogP3.70
Rot. Bonds5

About N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide

N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 71842037) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
PubChem CID71842037
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCC(C)(C)CC(=O)N1CCCC(c2nc(CNC(=O)C3CCC3)cs2)C1
InChIInChI=1S/C20H31N3O2S/c1-20(2,3)10-17(24)23-9-5-8-15(12-23)19-22-16(13-26-19)11-21-18(25)14-6-4-7-14/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyPQXILVBRIUYZSF-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (CID 71842037) is N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is CC(C)(C)CC(=O)N1CCCC(c2nc(CNC(=O)C3CCC3)cs2)C1.
What is the InChIKey of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is PQXILVBRIUYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-20(2,3)10-17(24)23-9-5-8-15(12-23)19-22-16(13-26-19)11-21-18(25)14-6-4-7-14/h13-15H,4-12H2,1-3H3,(H,21,25).
What are the key properties of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 377.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 71842037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).