(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

C20H23N3O3 — CID 110814057

IUPAC(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H23N3O3/c1-3-15-14-16(7-8-18(15)26-2)19(24)22-10-12-23(13-11-22)20(25)17-6-4-5-9-21-17/h4-9,14H,3,10-13H2,1-2H3
InChIKeyCHICFQZIVRKDQX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.25
Rot. Bonds4

About (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone

(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110814057) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110814057
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)ccc1OC
InChIInChI=1S/C20H23N3O3/c1-3-15-14-16(7-8-18(15)26-2)19(24)22-10-12-23(13-11-22)20(25)17-6-4-5-9-21-17/h4-9,14H,3,10-13H2,1-2H3
InChIKeyCHICFQZIVRKDQX-UHFFFAOYSA-N
XLogP2.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
(4-propoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 38786072
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
ethyl [4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533354
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone (CID 110814057) is (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is CCc1cc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)ccc1OC.
What is the InChIKey of (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CHICFQZIVRKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-15-14-16(7-8-18(15)26-2)19(24)22-10-12-23(13-11-22)20(25)17-6-4-5-9-21-17/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone?
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 353.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110814057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).