2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C17H20N4O2 — CID 78883415

IUPAC2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H20N4O2/c22-16(13-20-10-2-1-4-17(20)23)18-12-14-5-7-15(8-6-14)21-11-3-9-19-21/h3,5-9,11H,1-2,4,10,12-13H2,(H,18,22)
InChIKeySNMNVTMSWNWYEY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.50
Rot. Bonds5

About 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 78883415) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID78883415
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H20N4O2/c22-16(13-20-10-2-1-4-17(20)23)18-12-14-5-7-15(8-6-14)21-11-3-9-19-21/h3,5-9,11H,1-2,4,10,12-13H2,(H,18,22)
InChIKeySNMNVTMSWNWYEY-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
2-(2-oxopiperidin-1-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
CID 78883367
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 78863989
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 86824300
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 78883415) is 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is O=C(CN1CCCCC1=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is SNMNVTMSWNWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(13-20-10-2-1-4-17(20)23)18-12-14-5-7-15(8-6-14)21-11-3-9-19-21/h3,5-9,11H,1-2,4,10,12-13H2,(H,18,22).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 78883415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).