4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

C19H23N5O2 — CID 56905994

IUPAC4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccccc2)C1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H23N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h1-5,11,17H,6-10,12-13H2,(H,20,26)(H,21,22)
InChIKeyYFCDIJYNLUSCSE-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.69
Rot. Bonds4

About 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one

4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (PubChem CID 56905994) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
PubChem CID56905994
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccccc2)C1CC(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C19H23N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h1-5,11,17H,6-10,12-13H2,(H,20,26)(H,21,22)
InChIKeyYFCDIJYNLUSCSE-UHFFFAOYSA-N
XLogP0.69
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
1-(2-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}ethyl)piperidine-3-carboxamide
CID 16191029
N-methyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]piperazin-2-yl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 16191596
6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one
CID 122186071
5-(4-ethylbenzoyl)-N-(1-methyl-4-piperidyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914464
N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307462
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 16190051
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309577
N-isopropyl-1'-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-4-carboxamide
CID 16189690
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-[(5-propyl-1H-pyrazol-3-yl)methyl]acetamide
CID 24790580
1-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 45829799
3-acetamido-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]piperidine-1-carboxamide
CID 51084874

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The IUPAC name of 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one (CID 56905994) is 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The canonical SMILES for 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is O=C1NCCN(Cc2ccccc2)C1CC(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
The InChIKey is YFCDIJYNLUSCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(24-8-6-16-15(13-24)11-21-22-16)10-17-19(26)20-7-9-23(17)12-14-4-2-1-3-5-14/h1-5,11,17H,6-10,12-13H2,(H,20,26)(H,21,22).
What are the key properties of 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one?
4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one has a molecular weight of 353.43 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 56905994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).