3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one

C20H24N6O2 — CID 70775366

IUPAC3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCn1cnnc1CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-25-13-21-24-18(25)12-14-8-10-26(11-9-14)19(27)7-6-17-20(28)23-16-5-3-2-4-15(16)22-17/h2-5,13-14H,6-12H2,1H3,(H,23,28)
InChIKeyJMYUYBWMGGYZIV-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.47
Rot. Bonds5

About 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one

3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one (PubChem CID 70775366) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
PubChem CID70775366
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCn1cnnc1CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-25-13-21-24-18(25)12-14-8-10-26(11-9-14)19(27)7-6-17-20(28)23-16-5-3-2-4-15(16)22-17/h2-5,13-14H,6-12H2,1H3,(H,23,28)
InChIKeyJMYUYBWMGGYZIV-UHFFFAOYSA-N
XLogP1.47
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxamide
CID 40148143
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 40148144
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxamide
CID 45883299
N'-(2-fluoro-5-methylphenyl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]succinamide
CID 46993152
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51084694
6-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 53514636
4-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 53522737
1-(5-Fluoro-2-piperidin-1-ylphenyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53594586
2-methyl-4-(2-methylphenyl)-1-[3-(4-methyl-4H-1,2,4-triazol-3-yl)propanoyl]piperazine
CID 70772614
3-(2-{3-[(1-Methyl-4-piperidinyl)methyl]-1,2,4-oxadiazol-5-yl}ethyl)-2-quinoxalinol
CID 72854260
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]quinoxalin-2(1H)-one
CID 72912189
1-methyl-2-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 75461103

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one (CID 70775366) is 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one is Cn1cnnc1CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The InChIKey is JMYUYBWMGGYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-13-21-24-18(25)12-14-8-10-26(11-9-14)19(27)7-6-17-20(28)23-16-5-3-2-4-15(16)22-17/h2-5,13-14H,6-12H2,1H3,(H,23,28).
What are the key properties of 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one has a molecular weight of 380.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 70775366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).