1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone

C23H26N2O3 — CID 110611250

IUPAC1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)C3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-9-7-18(8-10-19)22(26)16-24-11-13-25(14-12-24)23(27)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3
InChIKeyLHADAPDVTFFORB-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone

1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 110611250) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
PubChem CID110611250
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)C3CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-28-19-9-7-18(8-10-19)22(26)16-24-11-13-25(14-12-24)23(27)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3
InChIKeyLHADAPDVTFFORB-UHFFFAOYSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-(4-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110359047
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 92952929
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
methyl 4-[[1-(3-methoxyphenyl)-2-[4-[(2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethoxy]methyl]benzoate
CID 46091137
methyl 4-[[(1R)-1-(3-methoxyphenyl)-2-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethoxy]methyl]benzoate
CID 92771904

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone (CID 110611250) is 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone is COc1ccc(C(=O)CN2CCN(C(=O)C3CC3c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is LHADAPDVTFFORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-28-19-9-7-18(8-10-19)22(26)16-24-11-13-25(14-12-24)23(27)21-15-20(21)17-5-3-2-4-6-17/h2-10,20-21H,11-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone?
1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 378.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110611250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).