1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide

C16H22N4O2 — CID 155951044

IUPAC1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H22N4O2/c1-12(22-2)10-19-16(21)14-5-7-20(8-6-14)15-4-3-13(9-17)11-18-15/h3-4,11-12,14H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyJEDLUDFCGDSNIS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.32
Rot. Bonds5

About 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide (PubChem CID 155951044) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
PubChem CID155951044
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(C)CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C16H22N4O2/c1-12(22-2)10-19-16(21)14-5-7-20(8-6-14)15-4-3-13(9-17)11-18-15/h3-4,11-12,14H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyJEDLUDFCGDSNIS-UHFFFAOYSA-N
XLogP1.32
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide (CID 155951044) is 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide is COC(C)CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is JEDLUDFCGDSNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(22-2)10-19-16(21)14-5-7-20(8-6-14)15-4-3-13(9-17)11-18-15/h3-4,11-12,14H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 155951044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).