[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

C23H23N3O2 — CID 91786244

IUPAC[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cccc(-c2ccccc2C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1
InChIInChI=1S/C23H23N3O2/c1-17-6-4-7-18(16-17)19-8-2-3-9-20(19)22(27)25-12-14-26(15-13-25)23(28)21-10-5-11-24-21/h2-11,16,24H,12-15H2,1H3
InChIKeyYFIQXLDNBZULAV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.59
Rot. Bonds3

About [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 91786244) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID91786244
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cccc(-c2ccccc2C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1
InChIInChI=1S/C23H23N3O2/c1-17-6-4-7-18(16-17)19-8-2-3-9-20(19)22(27)25-12-14-26(15-13-25)23(28)21-10-5-11-24-21/h2-11,16,24H,12-15H2,1H3
InChIKeyYFIQXLDNBZULAV-UHFFFAOYSA-N
XLogP3.59
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110815571
[(3aR,5R,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 86286591
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 135120241
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
CID 138385530
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91788683
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 164699427
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (CID 91786244) is [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is Cc1cccc(-c2ccccc2C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)c1.
What is the InChIKey of [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YFIQXLDNBZULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-6-4-7-18(16-17)19-8-2-3-9-20(19)22(27)25-12-14-26(15-13-25)23(28)21-10-5-11-24-21/h2-11,16,24H,12-15H2,1H3.
What are the key properties of [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91786244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).