N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C16H22N2O2 — CID 108518107

IUPACN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-5-7-14(8-6-12)10-17-15(19)16(20)18-9-3-4-13(2)11-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyBHOKMWOFXKMDAM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds2

About N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108518107) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108518107
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1ccc(CNC(=O)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-12-5-7-14(8-6-12)10-17-15(19)16(20)18-9-3-4-13(2)11-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyBHOKMWOFXKMDAM-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523035
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076271
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-(3-chloropropyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108513687
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108518107) is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is Cc1ccc(CNC(=O)C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is BHOKMWOFXKMDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-7-14(8-6-12)10-17-15(19)16(20)18-9-3-4-13(2)11-18/h5-8,13H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 274.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108518107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).