1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

C20H23N3O2 — CID 110366678

IUPAC1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(=O)c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-15-3-4-18(16(2)13-15)19(24)14-22-9-11-23(12-10-22)20(25)17-5-7-21-8-6-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLBPVJEZUYYUMLU-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110366678) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110366678
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCN(C(=O)c3ccncc3)CC2)c(C)c1
InChIInChI=1S/C20H23N3O2/c1-15-3-4-18(16(2)13-15)19(24)14-22-9-11-23(12-10-22)20(25)17-5-7-21-8-6-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLBPVJEZUYYUMLU-UHFFFAOYSA-N
XLogP2.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110366908
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 110366592
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 63769538

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (CID 110366678) is 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCN(C(=O)c3ccncc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is LBPVJEZUYYUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-3-4-18(16(2)13-15)19(24)14-22-9-11-23(12-10-22)20(25)17-5-7-21-8-6-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110366678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).