(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

C24H27N3O — CID 92709861

IUPAC(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1
InChIInChI=1S/C24H27N3O/c1-20-8-7-9-21(18-20)23(26-12-5-6-13-26)19-24(28)27-16-14-25(15-17-27)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3/t23-/m1/s1
InChIKeyPSZUKYRMNHJVHW-HSZRJFAPSA-N
MW373.50 g/mol
LogP4.12
Rot. Bonds5

About (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 92709861) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID92709861
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1
InChIInChI=1S/C24H27N3O/c1-20-8-7-9-21(18-20)23(26-12-5-6-13-26)19-24(28)27-16-14-25(15-17-27)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3/t23-/m1/s1
InChIKeyPSZUKYRMNHJVHW-HSZRJFAPSA-N
XLogP4.12
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
CID 46343081
(3R)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709117
(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709898
(3S)-3-(3-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709461
1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342867
(3R)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709038
1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46343011
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
(3R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709137

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 92709861) is (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is Cc1cccc([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)n2cccc2)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is PSZUKYRMNHJVHW-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O/c1-20-8-7-9-21(18-20)23(26-12-5-6-13-26)19-24(28)27-16-14-25(15-17-27)22-10-3-2-4-11-22/h2-13,18,23H,14-17,19H2,1H3/t23-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one?
(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 373.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 92709861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).