1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide

C26H32N4O2 — CID 95065821

IUPAC1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCCCN3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H32N4O2/c1-19-9-6-7-15-29(19)16-8-14-27-25(31)22-12-13-24-23(17-22)28-20(2)26(32)30(24)18-21-10-4-3-5-11-21/h3-5,10-13,17,19H,6-9,14-16,18H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeySVJCMVLMHCXHKJ-LJQANCHMSA-N
MW432.57 g/mol
LogP3.75
Rot. Bonds7

About 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide

1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide (PubChem CID 95065821) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
PubChem CID95065821
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCCCN3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H32N4O2/c1-19-9-6-7-15-29(19)16-8-14-27-25(31)22-12-13-24-23(17-22)28-20(2)26(32)30(24)18-21-10-4-3-5-11-21/h3-5,10-13,17,19H,6-9,14-16,18H2,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeySVJCMVLMHCXHKJ-LJQANCHMSA-N
XLogP3.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92895110
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92869686
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324603
1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
CID 95065840
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide (CID 95065821) is 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide is Cc1nc2cc(C(=O)NCCCN3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide?
The InChIKey is SVJCMVLMHCXHKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-9-6-7-15-29(19)16-8-14-27-25(31)22-12-13-24-23(17-22)28-20(2)26(32)30(24)18-21-10-4-3-5-11-21/h3-5,10-13,17,19H,6-9,14-16,18H2,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide?
1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 95065821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).