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

C23H29N3O2S — CID 71841884

IUPACN-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESCc1ccccc1C(=O)N1CCC(c2nc(CCNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C23H29N3O2S/c1-16-5-2-3-8-20(16)23(28)26-13-10-18(11-14-26)22-25-19(15-29-22)9-12-24-21(27)17-6-4-7-17/h2-3,5,8,15,17-18H,4,6-7,9-14H2,1H3,(H,24,27)
InChIKeyXTKLIWHERRNIAY-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.93
Rot. Bonds6

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

N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71841884) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
PubChem CID71841884
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESCc1ccccc1C(=O)N1CCC(c2nc(CCNC(=O)C3CCC3)cs2)CC1
InChIInChI=1S/C23H29N3O2S/c1-16-5-2-3-8-20(16)23(28)26-13-10-18(11-14-26)22-25-19(15-29-22)9-12-24-21(27)17-6-4-7-17/h2-3,5,8,15,17-18H,4,6-7,9-14H2,1H3,(H,24,27)
InChIKeyXTKLIWHERRNIAY-UHFFFAOYSA-N
XLogP3.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841889
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
N-[2-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841895
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841676
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151
1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 135093383
N-[[2-(1-acetylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 87050213
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841940

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (CID 71841884) is N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is Cc1ccccc1C(=O)N1CCC(c2nc(CCNC(=O)C3CCC3)cs2)CC1.
What is the InChIKey of N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is XTKLIWHERRNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-16-5-2-3-8-20(16)23(28)26-13-10-18(11-14-26)22-25-19(15-29-22)9-12-24-21(27)17-6-4-7-17/h2-3,5,8,15,17-18H,4,6-7,9-14H2,1H3,(H,24,27).
What are the key properties of N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71841884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).