N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide

C16H22N2O3 — CID 43403363

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-14(7-5-12)16(21)17-9-15(20)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21)
InChIKeyMAROMOXFOPQHOW-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.96
Rot. Bonds4

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 43403363) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID43403363
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCC(CO)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-14(7-5-12)16(21)17-9-15(20)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21)
InChIKeyMAROMOXFOPQHOW-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 43403221
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
1-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-4-(4-methylphenyl)pentan-1-one
CID 110311452
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
(E)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 43422371
2-(2,5-dimethylphenyl)sulfanyl-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403143

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide (CID 43403363) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CCCC(CO)C2)cc1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is MAROMOXFOPQHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-6-14(7-5-12)16(21)17-9-15(20)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,21).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 43403363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).