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

C20H28N2O3 — CID 124853797

IUPAC[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C20H28N2O3/c1-25-19-8-3-2-5-14(19)15-13-16(15)20(24)22-11-9-21(10-12-22)17-6-4-7-18(17)23/h2-3,5,8,15-18,23H,4,6-7,9-13H2,1H3/t15-,16-,17-,18+/m0/s1
InChIKeyWRBCVYQCHUZUSJ-XLAORIBOSA-N
MW344.46 g/mol
LogP1.86
Rot. Bonds4

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

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 124853797) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID124853797
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C20H28N2O3/c1-25-19-8-3-2-5-14(19)15-13-16(15)20(24)22-11-9-21(10-12-22)17-6-4-7-18(17)23/h2-3,5,8,15-18,23H,4,6-7,9-13H2,1H3/t15-,16-,17-,18+/m0/s1
InChIKeyWRBCVYQCHUZUSJ-XLAORIBOSA-N
XLogP1.86
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 124853798
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95284754
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98774935
2-[4-[(1R,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273527
2-[4-[(1S,2R)-2-(2-methoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 95273528
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(3-methylphenyl)cyclopropyl]methanone
CID 124853640
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95759192
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 98767571
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone (CID 124853797) is [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is WRBCVYQCHUZUSJ-XLAORIBOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-19-8-3-2-5-14(19)15-13-16(15)20(24)22-11-9-21(10-12-22)17-6-4-7-18(17)23/h2-3,5,8,15-18,23H,4,6-7,9-13H2,1H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone?
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 124853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).