3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one

C21H22N4O2 — CID 166278482

IUPAC3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one
SMILESCN1CCN(C(=O)c2cc3ccncc3c(=O)[nH]2)C(Cc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24-9-10-25(17(14-24)11-15-5-3-2-4-6-15)21(27)19-12-16-7-8-22-13-18(16)20(26)23-19/h2-8,12-13,17H,9-11,14H2,1H3,(H,23,26)
InChIKeyQPNJXESVZICEDS-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.92
Rot. Bonds3

About 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one

3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one (PubChem CID 166278482) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one
PubChem CID166278482
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one
SMILESCN1CCN(C(=O)c2cc3ccncc3c(=O)[nH]2)C(Cc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c1-24-9-10-25(17(14-24)11-15-5-3-2-4-6-15)21(27)19-12-16-7-8-22-13-18(16)20(26)23-19/h2-8,12-13,17H,9-11,14H2,1H3,(H,23,26)
InChIKeyQPNJXESVZICEDS-UHFFFAOYSA-N
XLogP1.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 80504727
[(2S)-2,4-dibenzylpiperazin-1-yl]-(1H-indol-2-yl)methanone
CID 139757452
(2R,3R)-2-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115003
2-[(3-aminophenyl)methyl]-4-methylpiperazine-1-carboxylic acid
CID 154265851
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 33112769
2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 166364292
3-[(2R)-3-oxo-2-phenylpiperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 97081449
3-(3-oxo-2-phenylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 71934806
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
(2-ethyl-4-phenylpiperazin-1-yl)-isoquinolin-8-ylmethanone
CID 166239852
(2-benzylpyrrolidin-1-yl)-(4-chloro-3-pyridinyl)methanone
CID 81230967

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one (CID 166278482) is 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one is CN1CCN(C(=O)c2cc3ccncc3c(=O)[nH]2)C(Cc2ccccc2)C1.
What is the InChIKey of 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one?
The InChIKey is QPNJXESVZICEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-9-10-25(17(14-24)11-15-5-3-2-4-6-15)21(27)19-12-16-7-8-22-13-18(16)20(26)23-19/h2-8,12-13,17H,9-11,14H2,1H3,(H,23,26).
What are the key properties of 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one?
3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one has a molecular weight of 362.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-4-methylpiperazine-1-carbonyl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 166278482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).