[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone

C20H28N2O2 — CID 124853640

IUPAC[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1
InChIInChI=1S/C20H28N2O2/c1-14-4-2-5-15(12-14)16-13-17(16)20(24)22-10-8-21(9-11-22)18-6-3-7-19(18)23/h2,4-5,12,16-19,23H,3,6-11,13H2,1H3/t16-,17-,18-,19+/m0/s1
InChIKeySUPJHIFPFXCZED-CADBVGFASA-N
MW328.46 g/mol
LogP2.16
Rot. Bonds3

About [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone (PubChem CID 124853640) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
PubChem CID124853640
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1
InChIInChI=1S/C20H28N2O2/c1-14-4-2-5-15(12-14)16-13-17(16)20(24)22-10-8-21(9-11-22)18-6-3-7-19(18)23/h2,4-5,12,16-19,23H,3,6-11,13H2,1H3/t16-,17-,18-,19+/m0/s1
InChIKeySUPJHIFPFXCZED-CADBVGFASA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
methanamine;[2-(3-methylphenyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone;molecular hydrogen
CID 142165493
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95759192
[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
(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-(3-pyrrolidin-1-ylphenyl)cyclopropyl]methanone
CID 151018806
(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
(2S)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 129435444
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
(2R)-1-[(1S,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 99849301
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone (CID 124853640) is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone is Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1.
What is the InChIKey of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone?
The InChIKey is SUPJHIFPFXCZED-CADBVGFASA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-4-2-5-15(12-14)16-13-17(16)20(24)22-10-8-21(9-11-22)18-6-3-7-19(18)23/h2,4-5,12,16-19,23H,3,6-11,13H2,1H3/t16-,17-,18-,19+/m0/s1.
What are the key properties of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone?
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 124853640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).