N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C22H26N4O2 — CID 55865593

IUPACN-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25-15-21(27)24-19-13-17(7-8-20(19)25)22(28)23-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyHKSUJZPWZQHIBQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.47
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 55865593) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID55865593
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25-15-21(27)24-19-13-17(7-8-20(19)25)22(28)23-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyHKSUJZPWZQHIBQ-UHFFFAOYSA-N
XLogP2.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51163625
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CID 17250317
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 164652934
N-(1-benzylpiperidin-4-yl)-2-oxo-1-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 3232154
N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 122172201
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265537

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 55865593) is N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CN1CC(=O)Nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is HKSUJZPWZQHIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-15-21(27)24-19-13-17(7-8-20(19)25)22(28)23-18-9-11-26(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 55865593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).