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

C20H25N3O2 — CID 71998635

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCN1CCCC(CNC(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-23-12-4-5-16(14-23)13-22-20(24)17-7-9-19(10-8-17)25-15-18-6-2-3-11-21-18/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyQLUZGCJLVFMORQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

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

N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 71998635) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID71998635
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCN1CCCC(CNC(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-23-12-4-5-16(14-23)13-22-20(24)17-7-9-19(10-8-17)25-15-18-6-2-3-11-21-18/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyQLUZGCJLVFMORQ-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-cyclopropyl-4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclobutyl]benzamide
CID 66864205
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
N-(oxan-3-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 84584798

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 71998635) is N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide is CN1CCCC(CNC(=O)c2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is QLUZGCJLVFMORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23-12-4-5-16(14-23)13-22-20(24)17-7-9-19(10-8-17)25-15-18-6-2-3-11-21-18/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,22,24).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 71998635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).