N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide

C22H26N2O2 — CID 113006248

IUPACN-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23(2)20-9-4-3-5-10-20/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeyHQVCNGUOGKDLTJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide

N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 113006248) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID113006248
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23(2)20-9-4-3-5-10-20/h3-10,15,19H,11-14,16H2,1-2H3
InChIKeyHQVCNGUOGKDLTJ-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056561

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 113006248) is N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)N(C)c3ccccc3)CC2)c1.
What is the InChIKey of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is HQVCNGUOGKDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-6-8-18(15-17)16-21(25)24-13-11-19(12-14-24)22(26)23(2)20-9-4-3-5-10-20/h3-10,15,19H,11-14,16H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide?
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 113006248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).