N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C23H26N4O3 — CID 23474665

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c28-21(18-6-7-19-20(14-18)26-23(30)22(29)25-19)24-11-8-16-9-12-27(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyASZWSERRKOOICT-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474665) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474665
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C23H26N4O3/c28-21(18-6-7-19-20(14-18)26-23(30)22(29)25-19)24-11-8-16-9-12-27(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H,24,28)(H,25,29)(H,26,30)
InChIKeyASZWSERRKOOICT-UHFFFAOYSA-N
XLogP2.25
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(5-methyl-1H-indol-3-yl)acetamide
CID 143148058
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;but-2-enedioic acid
CID 67703873
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-methyl-4-phenyl-1,3-thiazole-2-carboxamide
CID 139624970
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 23474665) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is ASZWSERRKOOICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21(18-6-7-19-20(14-18)26-23(30)22(29)25-19)24-11-8-16-9-12-27(13-10-16)15-17-4-2-1-3-5-17/h1-7,14,16H,8-13,15H2,(H,24,28)(H,25,29)(H,26,30).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).