(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

C20H23N3O4 — CID 110814077

IUPAC(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(OC)c1C
InChIInChI=1S/C20H23N3O4/c1-14-17(26-2)8-7-15(18(14)27-3)19(24)22-10-12-23(13-11-22)20(25)16-6-4-5-9-21-16/h4-9H,10-13H2,1-3H3
InChIKeyRCUSLSREWGEOMU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.01
Rot. Bonds4

About (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110814077) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110814077
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(OC)c1C
InChIInChI=1S/C20H23N3O4/c1-14-17(26-2)8-7-15(18(14)27-3)19(24)22-10-12-23(13-11-22)20(25)16-6-4-5-9-21-16/h4-9H,10-13H2,1-3H3
InChIKeyRCUSLSREWGEOMU-UHFFFAOYSA-N
XLogP2.01
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
[4-(2,4-dimethoxy-3-methylbenzoyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815445
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814097

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 110814077) is (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c(OC)c1C.
What is the InChIKey of (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RCUSLSREWGEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14-17(26-2)8-7-15(18(14)27-3)19(24)22-10-12-23(13-11-22)20(25)16-6-4-5-9-21-16/h4-9H,10-13H2,1-3H3.
What are the key properties of (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110814077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).