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

C16H23N3O2S — CID 87050213

IUPACN-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11(20)19-7-5-13(6-8-19)16-18-14(10-22-16)9-17-15(21)12-3-2-4-12/h10,12-13H,2-9H2,1H3,(H,17,21)
InChIKeyKFVFZUQOLNOIDJ-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.29
Rot. Bonds4

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

N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 87050213) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
PubChem CID87050213
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C16H23N3O2S/c1-11(20)19-7-5-13(6-8-19)16-18-14(10-22-16)9-17-15(21)12-3-2-4-12/h10,12-13H,2-9H2,1H3,(H,17,21)
InChIKeyKFVFZUQOLNOIDJ-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
N-[[2-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842156
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[[2-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842117
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841889
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (CID 87050213) is N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is CC(=O)N1CCC(c2nc(CNC(=O)C3CCC3)cs2)CC1.
What is the InChIKey of N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is KFVFZUQOLNOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(20)19-7-5-13(6-8-19)16-18-14(10-22-16)9-17-15(21)12-3-2-4-12/h10,12-13H,2-9H2,1H3,(H,17,21).
What are the key properties of N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 87050213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).