N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide

C16H22N2O3 — CID 110736146

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18-8-6-13(7-9-18)11-17-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyFRISVYZNDOJXLN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds4

About N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide

N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide (PubChem CID 110736146) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
PubChem CID110736146
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-12(19)18-8-6-13(7-9-18)11-17-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,17,20)
InChIKeyFRISVYZNDOJXLN-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927052
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927015
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
3,4-dimethoxy-N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]benzamide
CID 108935442
[3-[[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927383
N-[(1-acetylpiperidin-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110745949
[3-[[1-(2-cyclopentylideneacetyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927377
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide (CID 110736146) is N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2CCN(C(C)=O)CC2)c1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide?
The InChIKey is FRISVYZNDOJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(19)18-8-6-13(7-9-18)11-17-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13H,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 110736146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).