N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide

C18H26N2O2 — CID 110736193

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
SMILESCC(=O)N1CCC(CNC(=O)CCc2ccccc2C)CC1
InChIInChI=1S/C18H26N2O2/c1-14-5-3-4-6-17(14)7-8-18(22)19-13-16-9-11-20(12-10-16)15(2)21/h3-6,16H,7-13H2,1-2H3,(H,19,22)
InChIKeyGHTMMQFPIYSJHM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds5

About N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide

N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide (PubChem CID 110736193) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
PubChem CID110736193
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
SMILESCC(=O)N1CCC(CNC(=O)CCc2ccccc2C)CC1
InChIInChI=1S/C18H26N2O2/c1-14-5-3-4-6-17(14)7-8-18(22)19-13-16-9-11-20(12-10-16)15(2)21/h3-6,16H,7-13H2,1-2H3,(H,19,22)
InChIKeyGHTMMQFPIYSJHM-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
tert-butyl N-[3-[[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919451
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 103800552
N,N-dimethyl-4-[(3-phenylpropanoylamino)methyl]piperidine-1-carboxamide
CID 119103247
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
2-(2-methylphenyl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
CID 110736272
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide
CID 71806832

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide (CID 110736193) is N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide is CC(=O)N1CCC(CNC(=O)CCc2ccccc2C)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide?
The InChIKey is GHTMMQFPIYSJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-5-3-4-6-17(14)7-8-18(22)19-13-16-9-11-20(12-10-16)15(2)21/h3-6,16H,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide?
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110736193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).