4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

C20H25N5O3 — CID 126777694

IUPAC4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC(c3ccnn3CCO)CC2)c2ccccc2N1
InChIInChI=1S/C20H25N5O3/c26-12-11-25-17(5-8-21-25)15-6-9-23(10-7-15)14-20(28)24-13-19(27)22-16-3-1-2-4-18(16)24/h1-5,8,15,26H,6-7,9-14H2,(H,22,27)
InChIKeyZOZKFVZECKPWDQ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.04
Rot. Bonds5

About 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 126777694) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID126777694
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CCC(c3ccnn3CCO)CC2)c2ccccc2N1
InChIInChI=1S/C20H25N5O3/c26-12-11-25-17(5-8-21-25)15-6-9-23(10-7-15)14-20(28)24-13-19(27)22-16-3-1-2-4-18(16)24/h1-5,8,15,26H,6-7,9-14H2,(H,22,27)
InChIKeyZOZKFVZECKPWDQ-UHFFFAOYSA-N
XLogP1.04
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 126783324
4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8898891
4-[2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 46980921
4-[2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 92612938
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86877015
4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 41447992
4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9377928
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 126777694) is 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN2CCC(c3ccnn3CCO)CC2)c2ccccc2N1.
What is the InChIKey of 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZOZKFVZECKPWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-12-11-25-17(5-8-21-25)15-6-9-23(10-7-15)14-20(28)24-13-19(27)22-16-3-1-2-4-18(16)24/h1-5,8,15,26H,6-7,9-14H2,(H,22,27).
What are the key properties of 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 383.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 126777694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).