1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one

C23H25N3O2 — CID 46295480

IUPAC1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C23H25N3O2/c1-17-23(28)26(21-10-6-5-9-20(21)24-17)16-22(27)25-13-11-19(12-14-25)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3
InChIKeyBDGNFRCDFZLDAS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one (PubChem CID 46295480) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
PubChem CID46295480
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O
InChIInChI=1S/C23H25N3O2/c1-17-23(28)26(21-10-6-5-9-20(21)24-17)16-22(27)25-13-11-19(12-14-25)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3
InChIKeyBDGNFRCDFZLDAS-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 32977619
3-methyl-1-[2-oxo-2-[3-(propoxymethyl)pyrrolidin-1-yl]ethyl]quinoxalin-2-one
CID 72913220
1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 156604643
2-[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-4-yl]acetamide
CID 131963219
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
1-(4-benzylpiperidin-1-yl)-2-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23965134
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-one
CID 3228083
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one (CID 46295480) is 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CC(=O)N2CCC(Cc3ccccc3)CC2)c1=O.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
The InChIKey is BDGNFRCDFZLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-23(28)26(21-10-6-5-9-20(21)24-17)16-22(27)25-13-11-19(12-14-25)15-18-7-3-2-4-8-18/h2-10,19H,11-16H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one?
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 46295480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).