3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

C20H25N3O2 — CID 16895960

IUPAC3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-4-2-3-18(13-19)20(24)22-14-16-7-11-23(12-8-16)15-17-5-9-21-10-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyVEADVCKOGPRXIU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895960) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895960
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-4-2-3-18(13-19)20(24)22-14-16-7-11-23(12-8-16)15-17-5-9-21-10-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyVEADVCKOGPRXIU-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

N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887109
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895960) is 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is COc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is VEADVCKOGPRXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-4-2-3-18(13-19)20(24)22-14-16-7-11-23(12-8-16)15-17-5-9-21-10-6-17/h2-6,9-10,13,16H,7-8,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]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 3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).