1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone

C19H23N3O5 — CID 110815460

IUPAC1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-25-14-10-15(26-2)17(16(11-14)27-3)19(24)22-8-6-21(7-9-22)18(23)13-4-5-20-12-13/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyIOPOSAUWTMRLGG-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.64
Rot. Bonds5

About 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone

1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 110815460) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
PubChem CID110815460
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cc(OC)c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-25-14-10-15(26-2)17(16(11-14)27-3)19(24)22-8-6-21(7-9-22)18(23)13-4-5-20-12-13/h4-5,10-12,20H,6-9H2,1-3H3
InChIKeyIOPOSAUWTMRLGG-UHFFFAOYSA-N
XLogP1.64
TPSA84.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815443
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
CID 72897212
1-[4-(2,4,6-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805814
3-methyl-1-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800904
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
[4-(dimethylamino)phenyl]-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814773
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
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815159
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone (CID 110815460) is 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone is COc1cc(OC)c(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1.
What is the InChIKey of 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is IOPOSAUWTMRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-14-10-15(26-2)17(16(11-14)27-3)19(24)22-8-6-21(7-9-22)18(23)13-4-5-20-12-13/h4-5,10-12,20H,6-9H2,1-3H3.
What are the key properties of 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone?
1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 373.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-3-yl-[4-(2,4,6-trimethoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110815460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).