1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

C16H24N2O2S — CID 97006921

IUPAC1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1
InChIInChI=1S/C16H24N2O2S/c1-12-5-6-13(21-12)11-16(20)18-9-7-17(8-10-18)14-3-2-4-15(14)19/h5-6,14-15,19H,2-4,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyUJTIFYFPEIORAL-GJZGRUSLSA-N
MW308.45 g/mol
LogP1.66
Rot. Bonds3

About 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (PubChem CID 97006921) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
PubChem CID97006921
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1
InChIInChI=1S/C16H24N2O2S/c1-12-5-6-13(21-12)11-16(20)18-9-7-17(8-10-18)14-3-2-4-15(14)19/h5-6,14-15,19H,2-4,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyUJTIFYFPEIORAL-GJZGRUSLSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone with MolForge

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Related Compounds

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95759192
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone;hydrochloride
CID 119622352
(4aS,9aS)-4-methyl-7-[2-(5-methylthiophen-2-yl)acetyl]-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127019
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175152
(4-ethyl-5-methylthiophen-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95758886
1-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95343237
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95343236
1-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 167918207

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone (CID 97006921) is 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is Cc1ccc(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)s1.
What is the InChIKey of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
The InChIKey is UJTIFYFPEIORAL-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-5-6-13(21-12)11-16(20)18-9-7-17(8-10-18)14-3-2-4-15(14)19/h5-6,14-15,19H,2-4,7-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone?
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone has a molecular weight of 308.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 97006921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).