1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone

C23H28N2O2S — CID 58924830

IUPAC1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nc(C(=O)N2CCCC(C3CCCCC3)C2)cs1
InChIInChI=1S/C23H28N2O2S/c1-16(26)19-11-5-6-12-20(19)22-24-21(15-28-22)23(27)25-13-7-10-18(14-25)17-8-3-2-4-9-17/h5-6,11-12,15,17-18H,2-4,7-10,13-14H2,1H3
InChIKeyDLPUBUVERJIVHP-UHFFFAOYSA-N
MW396.56 g/mol
LogP5.45
Rot. Bonds4

About 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone

1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone (PubChem CID 58924830) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
PubChem CID58924830
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nc(C(=O)N2CCCC(C3CCCCC3)C2)cs1
InChIInChI=1S/C23H28N2O2S/c1-16(26)19-11-5-6-12-20(19)22-24-21(15-28-22)23(27)25-13-7-10-18(14-25)17-8-3-2-4-9-17/h5-6,11-12,15,17-18H,2-4,7-10,13-14H2,1H3
InChIKeyDLPUBUVERJIVHP-UHFFFAOYSA-N
XLogP5.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
1-[2-[4-(3,4,4a,5,6,7-hexahydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 68683050
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(2-methylsulfanylphenyl)-1,3-thiazol-4-yl]methanone
CID 58924892
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120656890
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119480398
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone (CID 58924830) is 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1nc(C(=O)N2CCCC(C3CCCCC3)C2)cs1.
What is the InChIKey of 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The InChIKey is DLPUBUVERJIVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-16(26)19-11-5-6-12-20(19)22-24-21(15-28-22)23(27)25-13-7-10-18(14-25)17-8-3-2-4-9-17/h5-6,11-12,15,17-18H,2-4,7-10,13-14H2,1H3.
What are the key properties of 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone?
1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone has a molecular weight of 396.56 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 58924830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).