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

C20H25N3O — CID 16895986

IUPAC3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-3-2-4-19(13-16)20(24)22-14-17-7-11-23(12-8-17)15-18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyIFUWQXUBKVSCOO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.03
Rot. Bonds5

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

3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895986) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895986
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-16-3-2-4-19(13-16)20(24)22-14-17-7-11-23(12-8-17)15-18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24)
InChIKeyIFUWQXUBKVSCOO-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 166243194
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
4-(methylamino)-N-[[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methyl]benzamide
CID 56723382

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895986) is 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is Cc1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is IFUWQXUBKVSCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-3-2-4-19(13-16)20(24)22-14-17-7-11-23(12-8-17)15-18-5-9-21-10-6-18/h2-6,9-10,13,17H,7-8,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).