1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid

C15H19N3O2 — CID 115487290

IUPAC1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C15H19N3O2/c1-2-6-15(14(19)20)7-3-8-18(11-15)13-5-4-12(9-16)17-10-13/h4-5,10H,2-3,6-8,11H2,1H3,(H,19,20)
InChIKeyVLMSRCZPOJGWAC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds4

About 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid

1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 115487290) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID115487290
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2ccc(C#N)nc2)C1
InChIInChI=1S/C15H19N3O2/c1-2-6-15(14(19)20)7-3-8-18(11-15)13-5-4-12(9-16)17-10-13/h4-5,10H,2-3,6-8,11H2,1H3,(H,19,20)
InChIKeyVLMSRCZPOJGWAC-UHFFFAOYSA-N
XLogP2.42
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-cyano-3-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 113320480
1-(4-cyanophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63136635
5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 115871405
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136435
1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165697
1-(3-cyano-6-methyl-2-pyridinyl)-3-propylpiperidine-3-carboxylic acid
CID 63136445
1-(2-cyano-4-fluorophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63674101
1-(4-cyano-2-fluorophenyl)-3-propylpiperidine-3-carboxylic acid
CID 63136495
1-(6-cyano-3-pyridinyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115487309
3-ethyl-1-(6-nitro-3-pyridinyl)piperidine-3-carboxylic acid
CID 63136353
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid (CID 115487290) is 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(c2ccc(C#N)nc2)C1.
What is the InChIKey of 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is VLMSRCZPOJGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-6-15(14(19)20)7-3-8-18(11-15)13-5-4-12(9-16)17-10-13/h4-5,10H,2-3,6-8,11H2,1H3,(H,19,20).
What are the key properties of 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid?
1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-3-pyridinyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 115487290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).