[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone

C19H23N3O2 — CID 119576643

IUPAC[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C19H23N3O2/c1-14-13-22(11-10-20-14)19(23)17-8-3-4-9-18(17)21-15-6-5-7-16(12-15)24-2/h3-9,12,14,20-21H,10-11,13H2,1-2H3
InChIKeyGYLUUIZGXAIYSI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.87
Rot. Bonds4

About [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone

[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 119576643) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
PubChem CID119576643
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(Nc2ccccc2C(=O)N2CCNC(C)C2)c1
InChIInChI=1S/C19H23N3O2/c1-14-13-22(11-10-20-14)19(23)17-8-3-4-9-18(17)21-15-6-5-7-16(12-15)24-2/h3-9,12,14,20-21H,10-11,13H2,1-2H3
InChIKeyGYLUUIZGXAIYSI-UHFFFAOYSA-N
XLogP2.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3-methoxyanilino)phenyl]methanone;dihydrochloride
CID 119635311
(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
CID 119377562
N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
CID 119578115
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
1-[2-(3-methoxyanilino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257609
N-(2-aminoethyl)-1-[2-(3-methoxyanilino)benzoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479592
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
(2-iodo-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119576725
2-(3-methoxyanilino)benzoate
CID 6943552
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone (CID 119576643) is [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone is COc1cccc(Nc2ccccc2C(=O)N2CCNC(C)C2)c1.
What is the InChIKey of [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is GYLUUIZGXAIYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-13-22(11-10-20-14)19(23)17-8-3-4-9-18(17)21-15-6-5-7-16(12-15)24-2/h3-9,12,14,20-21H,10-11,13H2,1-2H3.
What are the key properties of [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone?
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119576643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).