[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H23N3O3 — CID 42845923

IUPAC[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCN(C)CC3)c2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-21-6-8-22(9-7-21)19(23)16-10-15(12-20-13-16)14-4-5-17(24-2)18(11-14)25-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyCYVSDXIZJFFPCF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.15
Rot. Bonds4

About [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 42845923) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID42845923
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cncc(C(=O)N3CCN(C)CC3)c2)cc1OC
InChIInChI=1S/C19H23N3O3/c1-21-6-8-22(9-7-21)19(23)16-10-15(12-20-13-16)14-4-5-17(24-2)18(11-14)25-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyCYVSDXIZJFFPCF-UHFFFAOYSA-N
XLogP2.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[3-(3,4-dimethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865320
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104421
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
7-(3,4-dimethoxyphenyl)-N-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400835

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 42845923) is [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2cncc(C(=O)N3CCN(C)CC3)c2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CYVSDXIZJFFPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-6-8-22(9-7-21)19(23)16-10-15(12-20-13-16)14-4-5-17(24-2)18(11-14)25-3/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 42845923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).