1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one

C24H27N3O2 — CID 46343081

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(c3ccccc3)n3cccc3)CC2)c1
InChIInChI=1S/C24H27N3O2/c1-29-22-11-7-10-21(18-22)25-14-16-27(17-15-25)24(28)19-23(26-12-5-6-13-26)20-8-3-2-4-9-20/h2-13,18,23H,14-17,19H2,1H3
InChIKeyNXWSNVZZJVZXPS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.83
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one (PubChem CID 46343081) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
PubChem CID46343081
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
SMILESCOc1cccc(N2CCN(C(=O)CC(c3ccccc3)n3cccc3)CC2)c1
InChIInChI=1S/C24H27N3O2/c1-29-22-11-7-10-21(18-22)25-14-16-27(17-15-25)24(28)19-23(26-12-5-6-13-26)20-8-3-2-4-9-20/h2-13,18,23H,14-17,19H2,1H3
InChIKeyNXWSNVZZJVZXPS-UHFFFAOYSA-N
XLogP3.83
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
(3R)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709117
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342867
(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709861
(3S)-3-(3-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709461
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709137
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one
CID 31912861

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one (CID 46343081) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one is COc1cccc(N2CCN(C(=O)CC(c3ccccc3)n3cccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one?
The InChIKey is NXWSNVZZJVZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-22-11-7-10-21(18-22)25-14-16-27(17-15-25)24(28)19-23(26-12-5-6-13-26)20-8-3-2-4-9-20/h2-13,18,23H,14-17,19H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46343081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).