N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide

C20H25N3O2 — CID 136543374

IUPACN-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCC(Oc3ccncc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-13-22-9-6-19(15)25-18-7-10-23(11-8-18)14-16-4-3-5-17(12-16)20(24)21-2/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,21,24)
InChIKeySOHVIGQUSRBNFZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide

N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide (PubChem CID 136543374) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
PubChem CID136543374
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
SMILESCNC(=O)c1cccc(CN2CCC(Oc3ccncc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-15-13-22-9-6-19(15)25-18-7-10-23(11-8-18)14-16-4-3-5-17(12-16)20(24)21-2/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,21,24)
InChIKeySOHVIGQUSRBNFZ-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 120776448
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 97279626
N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 42557626
tert-butyl 4-[[3-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate
CID 70337311
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide (CID 136543374) is N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide is CNC(=O)c1cccc(CN2CCC(Oc3ccncc3C)CC2)c1.
What is the InChIKey of N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide?
The InChIKey is SOHVIGQUSRBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-13-22-9-6-19(15)25-18-7-10-23(11-8-18)14-16-4-3-5-17(12-16)20(24)21-2/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide?
N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 136543374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).