1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

C19H23N3O2 — CID 110815571

IUPAC1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1C
InChIInChI=1S/C19H23N3O2/c1-13-11-15(3)16(12-14(13)2)18(23)21-7-9-22(10-8-21)19(24)17-5-4-6-20-17/h4-6,11-12,20H,7-10H2,1-3H3
InChIKeyOZULKXXCTGXAPL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds2

About 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone

1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110815571) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
PubChem CID110815571
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1C
InChIInChI=1S/C19H23N3O2/c1-13-11-15(3)16(12-14(13)2)18(23)21-7-9-22(10-8-21)19(24)17-5-4-6-20-17/h4-6,11-12,20H,7-10H2,1-3H3
InChIKeyOZULKXXCTGXAPL-UHFFFAOYSA-N
XLogP2.54
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815160
[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110816655
(4-fluoro-3-methylphenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110814912
1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110815666
(4-methoxy-2,3-dimethylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816899
[2-(3-methylphenyl)phenyl]-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91786244
[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110815091
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone (CID 110815571) is 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)cc1C.
What is the InChIKey of 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is OZULKXXCTGXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-11-15(3)16(12-14(13)2)18(23)21-7-9-22(10-8-21)19(24)17-5-4-6-20-17/h4-6,11-12,20H,7-10H2,1-3H3.
What are the key properties of 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone?
1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110815571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).