3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one

C18H27N3O2S — CID 134020946

IUPAC3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cs1
InChIInChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)12-18(23)21-10-8-20(9-11-21)17(22)7-6-15-4-2-3-5-15/h13,15H,2-12H2,1H3
InChIKeyLOGRLGAZMBULLF-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.64
Rot. Bonds5

About 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 134020946) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID134020946
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cs1
InChIInChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)12-18(23)21-10-8-20(9-11-21)17(22)7-6-15-4-2-3-5-15/h13,15H,2-12H2,1H3
InChIKeyLOGRLGAZMBULLF-UHFFFAOYSA-N
XLogP2.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepan-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 135104698
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 95895868
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
N-[4-[2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55916066
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124966703
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one (CID 134020946) is 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one is Cc1nc(CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cs1.
What is the InChIKey of 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is LOGRLGAZMBULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-19-16(13-24-14)12-18(23)21-10-8-20(9-11-21)17(22)7-6-15-4-2-3-5-15/h13,15H,2-12H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 349.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134020946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).