2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide

C19H24N2O2 — CID 90550972

IUPAC2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
SMILESCC(C)(C)C(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)18(23)20-13-6-7-15-9-11-16(12-10-15)21-14-5-4-8-17(21)22/h9-12H,4-5,8,13-14H2,1-3H3,(H,20,23)
InChIKeyYFOLGZNERBRSHI-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.72
Rot. Bonds2

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

2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide (PubChem CID 90550972) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
PubChem CID90550972
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
SMILESCC(C)(C)C(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)18(23)20-13-6-7-15-9-11-16(12-10-15)21-14-5-4-8-17(21)22/h9-12H,4-5,8,13-14H2,1-3H3,(H,20,23)
InChIKeyYFOLGZNERBRSHI-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.72
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

2,2,2-trifluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551162
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
CID 90550971
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]-3-phenylpropanamide
CID 90551083
6-oxo-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1H-pyridazine-3-carboxamide
CID 90550936
2-benzylsulfanyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551070
2-(4-ethoxyphenyl)-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551074
4-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551036
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]-2-pyrazol-1-ylacetamide
CID 90551172
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 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide (CID 90550972) is 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide is CC(C)(C)C(=O)NCC#Cc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide?
The InChIKey is YFOLGZNERBRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)18(23)20-13-6-7-15-9-11-16(12-10-15)21-14-5-4-8-17(21)22/h9-12H,4-5,8,13-14H2,1-3H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide?
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide has a molecular weight of 312.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide is sourced from PubChem (CID 90550972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).