5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one

C20H30N2O2S — CID 160913974

IUPAC5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
SMILESCC(=O)CCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C20H30N2O2S/c1-15(23)7-5-11-18-14-25-19(21-18)17-10-6-12-22(13-17)20(24)16-8-3-2-4-9-16/h14,16-17H,2-13H2,1H3
InChIKeySRDSLQVIHHSWHU-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.34
Rot. Bonds6

About 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one

5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one (PubChem CID 160913974) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one.

Molecular Properties

Compound Name5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
PubChem CID160913974
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
SMILESCC(=O)CCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1
InChIInChI=1S/C20H30N2O2S/c1-15(23)7-5-11-18-14-25-19(21-18)17-10-6-12-22(13-17)20(24)16-8-3-2-4-9-16/h14,16-17H,2-13H2,1H3
InChIKeySRDSLQVIHHSWHU-UHFFFAOYSA-N
XLogP4.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylbutan-1-one;methane
CID 161210254
3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one
CID 161304044
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97101620
4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]butan-2-one
CID 116890294
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
4-[[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]amino]butanoic acid
CID 122023263
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
2-ethyl-1-[3-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one;methane
CID 159478001

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one?
The IUPAC name of 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one (CID 160913974) is 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one.
What is the SMILES notation for 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one?
The canonical SMILES for 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one is CC(=O)CCCc1csc(C2CCCN(C(=O)C3CCCCC3)C2)n1.
What is the InChIKey of 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one?
The InChIKey is SRDSLQVIHHSWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-15(23)7-5-11-18-14-25-19(21-18)17-10-6-12-22(13-17)20(24)16-8-3-2-4-9-16/h14,16-17H,2-13H2,1H3.
What are the key properties of 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one?
5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one has a molecular weight of 362.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one is sourced from PubChem (CID 160913974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).