(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone

C20H28N2O2 — CID 95284754

IUPAC(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-24-19-9-5-4-8-16(19)17-14-18(17)20(23)22-12-10-21(11-13-22)15-6-2-3-7-15/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3/t17-,18+/m1/s1
InChIKeyWQCNSMZEERNUKJ-MSOLQXFVSA-N
MW328.46 g/mol
LogP2.89
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone

(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone (PubChem CID 95284754) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
PubChem CID95284754
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-24-19-9-5-4-8-16(19)17-14-18(17)20(23)22-12-10-21(11-13-22)15-6-2-3-7-15/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3/t17-,18+/m1/s1
InChIKeyWQCNSMZEERNUKJ-MSOLQXFVSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[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-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 95345802
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
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
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840689
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 98758129
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone (CID 95284754) is (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone is COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is WQCNSMZEERNUKJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-19-9-5-4-8-16(19)17-14-18(17)20(23)22-12-10-21(11-13-22)15-6-2-3-7-15/h4-5,8-9,15,17-18H,2-3,6-7,10-14H2,1H3/t17-,18+/m1/s1.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 328.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 95284754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).