N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide

C15H20N2O2 — CID 110463372

IUPACN-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
SMILESCN1CCC(NC(=O)CC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-17-9-7-13(8-10-17)16-15(19)11-14(18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyYUPQFTZBPNTMJT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide

N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide (PubChem CID 110463372) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
PubChem CID110463372
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
SMILESCN1CCC(NC(=O)CC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-17-9-7-13(8-10-17)16-15(19)11-14(18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyYUPQFTZBPNTMJT-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide (CID 110463372) is N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide is CN1CCC(NC(=O)CC(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide?
The InChIKey is YUPQFTZBPNTMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-9-7-13(8-10-17)16-15(19)11-14(18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide?
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).