[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone

C19H23N3O3 — CID 110815443

IUPAC[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(C)c1C
InChIInChI=1S/C19H23N3O3/c1-13-14(2)17(25-3)5-4-16(13)19(24)22-10-8-21(9-11-22)18(23)15-6-7-20-12-15/h4-7,12,20H,8-11H2,1-3H3
InChIKeyODNNKQNAYUTZLG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.24
Rot. Bonds3

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

[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 110815443) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID110815443
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(C)c1C
InChIInChI=1S/C19H23N3O3/c1-13-14(2)17(25-3)5-4-16(13)19(24)22-10-8-21(9-11-22)18(23)15-6-7-20-12-15/h4-7,12,20H,8-11H2,1-3H3
InChIKeyODNNKQNAYUTZLG-UHFFFAOYSA-N
XLogP2.24
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 110815460
(4-methoxy-2,3-dimethylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816899
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815479
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
[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
azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone (CID 110815443) is [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(C)c1C.
What is the InChIKey of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is ODNNKQNAYUTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-14(2)17(25-3)5-4-16(13)19(24)22-10-8-21(9-11-22)18(23)15-6-7-20-12-15/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone?
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 110815443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).