[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C19H23N3O4 — CID 110815445

IUPAC[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1C
InChIInChI=1S/C19H23N3O4/c1-13-16(25-2)5-4-15(17(13)26-3)19(24)22-10-8-21(9-11-22)18(23)14-6-7-20-12-14/h4-7,12,20H,8-11H2,1-3H3
InChIKeyQJDFGJORMBAETO-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.94
Rot. Bonds4

About [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 110815445) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID110815445
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1C
InChIInChI=1S/C19H23N3O4/c1-13-16(25-2)5-4-15(17(13)26-3)19(24)22-10-8-21(9-11-22)18(23)14-6-7-20-12-14/h4-7,12,20H,8-11H2,1-3H3
InChIKeyQJDFGJORMBAETO-UHFFFAOYSA-N
XLogP1.94
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815443
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 110815460
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815479
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
1H-pyrrol-3-yl-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]methanone
CID 110803209

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 110815445) is [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1C.
What is the InChIKey of [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is QJDFGJORMBAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-16(25-2)5-4-15(17(13)26-3)19(24)22-10-8-21(9-11-22)18(23)14-6-7-20-12-14/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110815445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).