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

C20H24N4O2 — CID 86911861

IUPAC4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-14-16-5-2-1-3-6-16)18-8-11-24(12-9-18)20(26)23-15-17-7-4-10-21-13-17/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,22,25)(H,23,26)
InChIKeySYZXVNCHVNLESR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.32
Rot. Bonds5

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

4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide (PubChem CID 86911861) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
PubChem CID86911861
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C20H24N4O2/c25-19(22-14-16-5-2-1-3-6-16)18-8-11-24(12-9-18)20(26)23-15-17-7-4-10-21-13-17/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,22,25)(H,23,26)
InChIKeySYZXVNCHVNLESR-UHFFFAOYSA-N
XLogP2.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
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

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide (CID 86911861) is 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
The InChIKey is SYZXVNCHVNLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(22-14-16-5-2-1-3-6-16)18-8-11-24(12-9-18)20(26)23-15-17-7-4-10-21-13-17/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,22,25)(H,23,26).
What are the key properties of 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86911861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).