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

C22H27N3O2S — CID 71842151

IUPACN-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCc1cccc(C(=O)N2CCC(c3nc(CNC(=O)C4CCC4)cs3)CC2)c1
InChIInChI=1S/C22H27N3O2S/c1-15-4-2-7-18(12-15)22(27)25-10-8-17(9-11-25)21-24-19(14-28-21)13-23-20(26)16-5-3-6-16/h2,4,7,12,14,16-17H,3,5-6,8-11,13H2,1H3,(H,23,26)
InChIKeyUZCRMGJGNGRAHH-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.89
Rot. Bonds5

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

N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (PubChem CID 71842151) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
PubChem CID71842151
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
SMILESCc1cccc(C(=O)N2CCC(c3nc(CNC(=O)C4CCC4)cs3)CC2)c1
InChIInChI=1S/C22H27N3O2S/c1-15-4-2-7-18(12-15)22(27)25-10-8-17(9-11-25)21-24-19(14-28-21)13-23-20(26)16-5-3-6-16/h2,4,7,12,14,16-17H,3,5-6,8-11,13H2,1H3,(H,23,26)
InChIKeyUZCRMGJGNGRAHH-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
2-methyl-N-[[2-[1-(3-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842059
N-[[2-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842221
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
N-[[2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 86771475
N-[[2-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842156
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841889

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide (CID 71842151) is N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is Cc1cccc(C(=O)N2CCC(c3nc(CNC(=O)C4CCC4)cs3)CC2)c1.
What is the InChIKey of N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
The InChIKey is UZCRMGJGNGRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-15-4-2-7-18(12-15)22(27)25-10-8-17(9-11-25)21-24-19(14-28-21)13-23-20(26)16-5-3-6-16/h2,4,7,12,14,16-17H,3,5-6,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide?
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide has a molecular weight of 397.54 g/mol, XLogP of 3.89, 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-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 71842151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).