2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone

C23H29N3O2 — CID 46614027

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)24-15-17-25(18-16-24)22(19-9-3-2-4-10-19)23(27)26-13-7-8-14-26/h2-6,9-12,22H,7-8,13-18H2,1H3
InChIKeyJPEXBWDKPFYDAA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.18
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 46614027) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID46614027
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)24-15-17-25(18-16-24)22(19-9-3-2-4-10-19)23(27)26-13-7-8-14-26/h2-6,9-12,22H,7-8,13-18H2,1H3
InChIKeyJPEXBWDKPFYDAA-UHFFFAOYSA-N
XLogP3.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 45356192
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 146130507
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone (CID 46614027) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone is COc1ccccc1N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is JPEXBWDKPFYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-28-21-12-6-5-11-20(21)24-15-17-25(18-16-24)22(19-9-3-2-4-10-19)23(27)26-13-7-8-14-26/h2-6,9-12,22H,7-8,13-18H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 379.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 46614027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).