4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

C19H23N3O — CID 17398321

IUPAC4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H23N3O/c23-19(21-14-16-8-10-20-11-9-16)18-6-4-17(5-7-18)15-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23)
InChIKeyWDLNOMQRRXFYLX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.00
Rot. Bonds5

About 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 17398321) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID17398321
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C19H23N3O/c23-19(21-14-16-8-10-20-11-9-16)18-6-4-17(5-7-18)15-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23)
InChIKeyWDLNOMQRRXFYLX-UHFFFAOYSA-N
XLogP3.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-benzyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 46943272
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 17398321) is 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is WDLNOMQRRXFYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(21-14-16-8-10-20-11-9-16)18-6-4-17(5-7-18)15-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,23).
What are the key properties of 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 17398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).