1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone

C23H28N2O2 — CID 147602022

IUPAC1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-21-10-6-5-9-20(21)17-22(26)23(11-12-23)25-15-13-24(14-16-25)18-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyGAIHYWQZUVPWCX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.16
Rot. Bonds7

About 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone

1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone (PubChem CID 147602022) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
PubChem CID147602022
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-21-10-6-5-9-20(21)17-22(26)23(11-12-23)25-15-13-24(14-16-25)18-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyGAIHYWQZUVPWCX-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17367068
1-(4-benzylpiperazin-1-yl)-N-(2-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 137390918
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(2-methoxyphenyl)propanamide
CID 126509200
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone (CID 147602022) is 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)C1(N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is GAIHYWQZUVPWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-21-10-6-5-9-20(21)17-22(26)23(11-12-23)25-15-13-24(14-16-25)18-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3.
What are the key properties of 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone?
1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 364.49 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-benzylpiperazin-1-yl)cyclopropyl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 147602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).