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

C19H24N2O2 — CID 90550971

IUPACN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-2-3-8-18(22)20-14-6-7-16-10-12-17(13-11-16)21-15-5-4-9-19(21)23/h10-13H,2-5,8-9,14-15H2,1H3,(H,20,22)
InChIKeyMDFJJLKCSGLFRV-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.86
Rot. Bonds5

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

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide (PubChem CID 90550971) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
PubChem CID90550971
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-2-3-8-18(22)20-14-6-7-16-10-12-17(13-11-16)21-15-5-4-9-19(21)23/h10-13H,2-5,8-9,14-15H2,1H3,(H,20,22)
InChIKeyMDFJJLKCSGLFRV-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]-3-phenylpropanamide
CID 90551083
2-(4-ethoxyphenyl)-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551074
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
CID 90550972
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-2-pyrazol-1-ylacetamide
CID 90551172
2,2,2-trifluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551162
2-benzylsulfanyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551070
2,6-difluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551027
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551159
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
4-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551036
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide?
The IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide (CID 90550971) is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide.
What is the SMILES notation for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide?
The canonical SMILES for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide is CCCCC(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide?
The InChIKey is MDFJJLKCSGLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-3-8-18(22)20-14-6-7-16-10-12-17(13-11-16)21-15-5-4-9-19(21)23/h10-13H,2-5,8-9,14-15H2,1H3,(H,20,22).
What are the key properties of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide?
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide has a molecular weight of 312.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide is sourced from PubChem (CID 90550971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).