(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone

C27H25N3O — CID 3107670

IUPAC(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H25N3O/c1-19-14-16-30(17-15-19)27(31)22-12-13-23-24(18-22)29-26(21-10-6-3-7-11-21)25(28-23)20-8-4-2-5-9-20/h2-13,18-19H,14-17H2,1H3
InChIKeyNUGOWOVMYCONBC-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.84
Rot. Bonds3

About (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone

(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 3107670) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID3107670
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C27H25N3O/c1-19-14-16-30(17-15-19)27(31)22-12-13-23-24(18-22)29-26(21-10-6-3-7-11-21)25(28-23)20-8-4-2-5-9-20/h2-13,18-19H,14-17H2,1H3
InChIKeyNUGOWOVMYCONBC-UHFFFAOYSA-N
XLogP5.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone (CID 3107670) is (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NUGOWOVMYCONBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-19-14-16-30(17-15-19)27(31)22-12-13-23-24(18-22)29-26(21-10-6-3-7-11-21)25(28-23)20-8-4-2-5-9-20/h2-13,18-19H,14-17H2,1H3.
What are the key properties of (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone?
(2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenylquinoxalin-6-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3107670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).