3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one

C20H28N2O2S — CID 161304044

IUPAC3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one
SMILESO=C(CCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1)C1CC1
InChIInChI=1S/C20H28N2O2S/c23-18(14-7-8-14)10-9-17-13-25-19(21-17)16-6-3-11-22(12-16)20(24)15-4-1-2-5-15/h13-16H,1-12H2
InChIKeyXDROPQBVVBPRHY-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.95
Rot. Bonds6

About 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one

3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one (PubChem CID 161304044) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one
PubChem CID161304044
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one
SMILESO=C(CCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1)C1CC1
InChIInChI=1S/C20H28N2O2S/c23-18(14-7-8-14)10-9-17-13-25-19(21-17)16-6-3-11-22(12-16)20(24)15-4-1-2-5-15/h13-16H,1-12H2
InChIKeyXDROPQBVVBPRHY-UHFFFAOYSA-N
XLogP3.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylbutan-1-one;methane
CID 161210254
5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
CID 160913974
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
1-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]-4-methylpentan-3-one;methane
CID 159572048
1-[(3R)-3-(4-but-3-enyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97101620
2-ethyl-1-[3-[4-(4-methyl-3-oxopentyl)-1,3-thiazol-2-yl]piperidin-1-yl]butan-1-one;methane
CID 159478001
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841693

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one?
The IUPAC name of 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one (CID 161304044) is 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one.
What is the SMILES notation for 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one?
The canonical SMILES for 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one is O=C(CCc1csc(C2CCCN(C(=O)C3CCCC3)C2)n1)C1CC1.
What is the InChIKey of 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one?
The InChIKey is XDROPQBVVBPRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c23-18(14-7-8-14)10-9-17-13-25-19(21-17)16-6-3-11-22(12-16)20(24)15-4-1-2-5-15/h13-16H,1-12H2.
What are the key properties of 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one?
3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one has a molecular weight of 360.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]-1-cyclopropylpropan-1-one is sourced from PubChem (CID 161304044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).