N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide

C13H19N3O — CID 23377563

IUPACN,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide
SMILESCNC(=O)C1(c2ccncc2)CCN(C)CC1
InChIInChI=1S/C13H19N3O/c1-14-12(17)13(5-9-16(2)10-6-13)11-3-7-15-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,14,17)
InChIKeySJWJXVWHAVHVKV-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.79
Rot. Bonds2

About N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide

N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 23377563) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID23377563
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC NameN,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide
SMILESCNC(=O)C1(c2ccncc2)CCN(C)CC1
InChIInChI=1S/C13H19N3O/c1-14-12(17)13(5-9-16(2)10-6-13)11-3-7-15-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,14,17)
InChIKeySJWJXVWHAVHVKV-UHFFFAOYSA-N
XLogP0.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide (CID 23377563) is N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide is CNC(=O)C1(c2ccncc2)CCN(C)CC1.
What is the InChIKey of N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is SJWJXVWHAVHVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12(17)13(5-9-16(2)10-6-13)11-3-7-15-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,14,17).
What are the key properties of N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide?
N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 233.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23377563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).