3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide

C22H27N3O4 — CID 24791204

IUPAC3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ncccc2C)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H27N3O4/c1-15-5-4-10-23-19(15)14-24-22(27)17-6-7-20(28-3)21(13-17)29-18-8-11-25(12-9-18)16(2)26/h4-7,10,13,18H,8-9,11-12,14H2,1-3H3,(H,24,27)
InChIKeyQBUABGNOEMBZLQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.72
Rot. Bonds6

About 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide

3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 24791204) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID24791204
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ncccc2C)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H27N3O4/c1-15-5-4-10-23-19(15)14-24-22(27)17-6-7-20(28-3)21(13-17)29-18-8-11-25(12-9-18)16(2)26/h4-7,10,13,18H,8-9,11-12,14H2,1-3H3,(H,24,27)
InChIKeyQBUABGNOEMBZLQ-UHFFFAOYSA-N
XLogP2.72
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide 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

N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
CID 25274455
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
3-[(3-methyl-2-pyridinyl)methylcarbamoyl]benzoic acid
CID 63309087
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 97268505
3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
CID 42289014

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 24791204) is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2ncccc2C)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is QBUABGNOEMBZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-5-4-10-23-19(15)14-24-22(27)17-6-7-20(28-3)21(13-17)29-18-8-11-25(12-9-18)16(2)26/h4-7,10,13,18H,8-9,11-12,14H2,1-3H3,(H,24,27).
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 24791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).