N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide

C24H27N5O4 — CID 118920915

IUPACN-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide
SMILESCON(C)C(=O)c1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIInChI=1S/C24H27N5O4/c1-17-11-12-20(33-19-8-6-7-18(15-19)23(30)27(2)32-3)16-28(17)24(31)21-9-4-5-10-22(21)29-25-13-14-26-29/h4-10,13-15,17,20H,11-12,16H2,1-3H3/t17-,20-/m1/s1
InChIKeyQEZSMXKKTZTJOU-YLJYHZDGSA-N
MW449.51 g/mol
LogP2.97
Rot. Bonds6

About N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide

N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide (PubChem CID 118920915) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide
PubChem CID118920915
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide
SMILESCON(C)C(=O)c1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIInChI=1S/C24H27N5O4/c1-17-11-12-20(33-19-8-6-7-18(15-19)23(30)27(2)32-3)16-28(17)24(31)21-9-4-5-10-22(21)29-25-13-14-26-29/h4-10,13-15,17,20H,11-12,16H2,1-3H3/t17-,20-/m1/s1
InChIKeyQEZSMXKKTZTJOU-YLJYHZDGSA-N
XLogP2.97
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide 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

[5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123930986
[(2R,5R)-2-methyl-5-[[4-(oxetan-3-yloxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78325001
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920
[(2R,5R)-2-methyl-5-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134144793
[(2R,5R)-5-[[(1S)-1-hydroxy-1-methyl-2,3-dihydroinden-4-yl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86281703
[(2R,5R)-2-methyl-5-(6-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212053
2-fluoro-N-methoxy-N-methylpyridine-4-carboxamide;2-fluoropyridine-4-carboxylic acid;[(2R,5R)-5-[[4-(2-hydroxybutan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;N-methoxy-N-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxamide;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carboxylic acid;1-[2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-4-pyridinyl]ethanone
CID 159028017
[(2R,5R)-5-[[4-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78324952
[(2R,5R)-5-[(4-cyclopropyloxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1H-pyridin-4-one
CID 158066980
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide?
The IUPAC name of N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide (CID 118920915) is N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide?
The canonical SMILES for N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide is CON(C)C(=O)c1cccc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1.
What is the InChIKey of N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide?
The InChIKey is QEZSMXKKTZTJOU-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-17-11-12-20(33-19-8-6-7-18(15-19)23(30)27(2)32-3)16-28(17)24(31)21-9-4-5-10-22(21)29-25-13-14-26-29/h4-10,13-15,17,20H,11-12,16H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide?
N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide has a molecular weight of 449.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxybenzamide is sourced from PubChem (CID 118920915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).