2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide

C26H27N3O3 — CID 55777615

IUPAC2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C26H27N3O3/c1-19-6-2-3-10-24(19)25(30)28-22-11-14-29(15-12-22)26(31)21-8-4-9-23(16-21)32-18-20-7-5-13-27-17-20/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,28,30)
InChIKeyXWPKIIWLSOWMEC-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide (PubChem CID 55777615) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
PubChem CID55777615
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C26H27N3O3/c1-19-6-2-3-10-24(19)25(30)28-22-11-14-29(15-12-22)26(31)21-8-4-9-23(16-21)32-18-20-7-5-13-27-17-20/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,28,30)
InChIKeyXWPKIIWLSOWMEC-UHFFFAOYSA-N
XLogP4.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]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

(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
CID 39511020
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide (CID 55777615) is 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is XWPKIIWLSOWMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-6-2-3-10-24(19)25(30)28-22-11-14-29(15-12-22)26(31)21-8-4-9-23(16-21)32-18-20-7-5-13-27-17-20/h2-10,13,16-17,22H,11-12,14-15,18H2,1H3,(H,28,30).
What are the key properties of 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55777615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).