N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide

C19H20N4O2 — CID 90551172

IUPACN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H20N4O2/c24-18(15-22-13-4-12-21-22)20-11-3-5-16-7-9-17(10-8-16)23-14-2-1-6-19(23)25/h4,7-10,12-13H,1-2,6,11,14-15H2,(H,20,24)
InChIKeyVMEUVGYXBUUEQU-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.57
Rot. Bonds4

About N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide (PubChem CID 90551172) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide
PubChem CID90551172
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H20N4O2/c24-18(15-22-13-4-12-21-22)20-11-3-5-16-7-9-17(10-8-16)23-14-2-1-6-19(23)25/h4,7-10,12-13H,1-2,6,11,14-15H2,(H,20,24)
InChIKeyVMEUVGYXBUUEQU-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
CID 90550971
2-(4-ethoxyphenyl)-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551074
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-3-phenylpropanamide
CID 90551083
2-benzylsulfanyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551070
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
CID 90550972
2,2,2-trifluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551162
2,6-difluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551027
6-oxo-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1H-pyridazine-3-carboxamide
CID 90550936
5-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90551143
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551159
3-methoxy-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551003
2-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551034

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide (CID 90551172) is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC#Cc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide?
The InChIKey is VMEUVGYXBUUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(15-22-13-4-12-21-22)20-11-3-5-16-7-9-17(10-8-16)23-14-2-1-6-19(23)25/h4,7-10,12-13H,1-2,6,11,14-15H2,(H,20,24).
What are the key properties of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide?
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide has a molecular weight of 336.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 90551172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).