N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide

C16H22N2O2 — CID 110736135

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)16(20)17-11-14-7-9-18(10-8-14)13(2)19/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyRCNDRGZRGYIZDS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.98
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide

N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide (PubChem CID 110736135) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
PubChem CID110736135
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)16(20)17-11-14-7-9-18(10-8-14)13(2)19/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyRCNDRGZRGYIZDS-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
N-[(1-acetylpiperidin-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110736173
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[(1-acetylpiperidin-4-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118775630
N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 56897452
N-[(1-benzhydrylazetidin-3-yl)methyl]-2-methylbenzamide
CID 71660278
2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242771
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide (CID 110736135) is N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide is CC(=O)N1CCC(CNC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide?
The InChIKey is RCNDRGZRGYIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)16(20)17-11-14-7-9-18(10-8-14)13(2)19/h3-6,14H,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 1.98, 3 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]-2-methylbenzamide is sourced from PubChem (CID 110736135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).