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

C18H21N3O3 — CID 9228487

IUPAC(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-3-4-16(17(13-15)24-2)18(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h3-8,13H,9-12H2,1-2H3
InChIKeyVIIZNKLEQAELJZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.06
Rot. Bonds4

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

(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 9228487) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID9228487
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-3-4-16(17(13-15)24-2)18(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h3-8,13H,9-12H2,1-2H3
InChIKeyVIIZNKLEQAELJZ-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

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145831
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 41116667
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 9228487) is (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3ccncc3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is VIIZNKLEQAELJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-3-4-16(17(13-15)24-2)18(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h3-8,13H,9-12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(2,4-dimethoxyphenyl)-(4-pyridin-4-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 (2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9228487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).