N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide

C20H22N2O3 — CID 126830430

IUPACN-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
SMILESCC1CC(CNC(=O)c2ccccc2Oc2ccccc2)CC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-14-11-15(12-19(23)22-14)13-21-20(24)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyBYCLQNLNOQUMDW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide

N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide (PubChem CID 126830430) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
PubChem CID126830430
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide
SMILESCC1CC(CNC(=O)c2ccccc2Oc2ccccc2)CC(=O)N1
InChIInChI=1S/C20H22N2O3/c1-14-11-15(12-19(23)22-14)13-21-20(24)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyBYCLQNLNOQUMDW-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 91772754
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
2-(3-bromophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60507504
2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
2-hydroxy-3-methoxy-N-[(4-methylcyclohexyl)methyl]benzamide
CID 61380888
2-hydroxy-N-[(6-methylpiperidin-3-yl)methyl]benzamide
CID 63008147
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
CID 62241479
(1S,5R)-3-[[2-[(2-phenoxybenzoyl)amino]acetyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 68823864
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide (CID 126830430) is N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide is CC1CC(CNC(=O)c2ccccc2Oc2ccccc2)CC(=O)N1.
What is the InChIKey of N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide?
The InChIKey is BYCLQNLNOQUMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-11-15(12-19(23)22-14)13-21-20(24)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,14-15H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide?
N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxopiperidin-4-yl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 126830430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).