4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C20H25N3O2 — CID 16895998

IUPAC4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-5-17(6-8-19)20(24)22-14-16-9-12-23(13-10-16)15-18-4-2-3-11-21-18/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyVQLJGSHNHGGZFF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide

4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895998) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895998
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-5-17(6-8-19)20(24)22-14-16-9-12-23(13-10-16)15-18-4-2-3-11-21-18/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyVQLJGSHNHGGZFF-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-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
4-cyano-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896060
3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86864451
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
3-fluoro-2-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95194083
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895998) is 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is VQLJGSHNHGGZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-7-5-17(6-8-19)20(24)22-14-16-9-12-23(13-10-16)15-18-4-2-3-11-21-18/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24).
What are the key properties of 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
4-methoxy-N-[[1-(pyridin-2-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 4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).