(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H21N3O3 — CID 973595

IUPAC(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O3/c1-23-14-6-5-7-15(24-2)17(14)18(22)21-12-10-20(11-13-21)16-8-3-4-9-19-16/h3-9H,10-13H2,1-2H3
InChIKeySFCMHKMQHYHCNL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.06
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 973595) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID973595
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O3/c1-23-14-6-5-7-15(24-2)17(14)18(22)21-12-10-20(11-13-21)16-8-3-4-9-19-16/h3-9H,10-13H2,1-2H3
InChIKeySFCMHKMQHYHCNL-UHFFFAOYSA-N
XLogP2.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 973595) is (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(OC)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SFCMHKMQHYHCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-6-5-7-15(24-2)17(14)18(22)21-12-10-20(11-13-21)16-8-3-4-9-19-16/h3-9H,10-13H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 973595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).