1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid

C14H17N3O2 — CID 63136435

IUPAC1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C14H17N3O2/c1-2-14(13(18)19)5-3-7-17(10-14)12-4-6-16-11(8-12)9-15/h4,6,8H,2-3,5,7,10H2,1H3,(H,18,19)
InChIKeyCIIKRKWWYXNASQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.03
Rot. Bonds3

About 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid

1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63136435) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63136435
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C14H17N3O2/c1-2-14(13(18)19)5-3-7-17(10-14)12-4-6-16-11(8-12)9-15/h4,6,8H,2-3,5,7,10H2,1H3,(H,18,19)
InChIKeyCIIKRKWWYXNASQ-UHFFFAOYSA-N
XLogP2.03
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid (CID 63136435) is 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2ccnc(C#N)c2)C1.
What is the InChIKey of 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is CIIKRKWWYXNASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-14(13(18)19)5-3-7-17(10-14)12-4-6-16-11(8-12)9-15/h4,6,8H,2-3,5,7,10H2,1H3,(H,18,19).
What are the key properties of 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid?
1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-pyridinyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).