4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide

C13H18N4O2 — CID 71166492

IUPAC4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C13H18N4O2/c14-13(19)17-6-3-11(4-7-17)12(18)16-9-10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18)
InChIKeyZOKUMJBUAZPUDI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.49
Rot. Bonds3

About 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide

4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 71166492) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID71166492
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C13H18N4O2/c14-13(19)17-6-3-11(4-7-17)12(18)16-9-10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18)
InChIKeyZOKUMJBUAZPUDI-UHFFFAOYSA-N
XLogP0.49
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(2-cyclopentyloxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506587
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811

Frequently Asked Questions

What is the IUPAC name of 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide (CID 71166492) is 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide is NC(=O)N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is ZOKUMJBUAZPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(19)17-6-3-11(4-7-17)12(18)16-9-10-2-1-5-15-8-10/h1-2,5,8,11H,3-4,6-7,9H2,(H2,14,19)(H,16,18).
What are the key properties of 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 71166492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).