[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone

C18H26N2O2S — CID 95759192

IUPAC[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1
InChIInChI=1S/C18H26N2O2S/c1-12-5-6-17(23-12)13-11-14(13)18(22)20-9-7-19(8-10-20)15-3-2-4-16(15)21/h5-6,13-16,21H,2-4,7-11H2,1H3/t13-,14+,15-,16+/m1/s1
InChIKeyQGPFZWBVTBOTOO-QXSJWSMHSA-N
MW334.49 g/mol
LogP2.22
Rot. Bonds3

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

[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone (PubChem CID 95759192) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
PubChem CID95759192
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1
InChIInChI=1S/C18H26N2O2S/c1-12-5-6-17(23-12)13-11-14(13)18(22)20-9-7-19(8-10-20)15-3-2-4-16(15)21/h5-6,13-16,21H,2-4,7-11H2,1H3/t13-,14+,15-,16+/m1/s1
InChIKeyQGPFZWBVTBOTOO-QXSJWSMHSA-N
XLogP2.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 124860150
[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853797
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 97006921
N-cyclopropyl-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 95282747
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[(1S)-2-(5-methylthiophen-2-yl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 156514471
[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100839992
ethyl N-[(3R)-1-[(1R,2S)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-3-yl]carbamate
CID 95293945
[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 95332533

Frequently Asked Questions

What is the IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The IUPAC name of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone (CID 95759192) is [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The canonical SMILES for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone is Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)s1.
What is the InChIKey of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
The InChIKey is QGPFZWBVTBOTOO-QXSJWSMHSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-12-5-6-17(23-12)13-11-14(13)18(22)20-9-7-19(8-10-20)15-3-2-4-16(15)21/h5-6,13-16,21H,2-4,7-11H2,1H3/t13-,14+,15-,16+/m1/s1.
What are the key properties of [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone?
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone has a molecular weight of 334.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 95759192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).