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

C14H17N3O2 — CID 63125819

IUPAC1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H17N3O2/c1-2-14(13(18)19)4-7-17(8-5-14)12-9-11(10-15)3-6-16-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,18,19)
InChIKeyMYVWCVPUNDDCAI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.03
Rot. Bonds3

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

1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63125819) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
PubChem CID63125819
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C14H17N3O2/c1-2-14(13(18)19)4-7-17(8-5-14)12-9-11(10-15)3-6-16-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,18,19)
InChIKeyMYVWCVPUNDDCAI-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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Related Compounds

4-Oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butanoic acid
CID 735783
1-(3-Cyanopyridin-2-yl)piperidine-4-carboxamide
CID 2813162
4-Oxo-4-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}butanoic acid
CID 2741588
1-Piperazinepropionic acid, 4-(2-pyridinyl)-
CID 6485183
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylic acid
CID 2777788
2-(Piperidin-1-yl)isonicotinonitrile
CID 477653
1-(5-Bromopyridin-2-yl)piperidine-4-carboxylic acid
CID 16794460
3-[2-(Diethylamino)-4-pyridyl]propanoic acid
CID 90487991
2-(4-Methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(3-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 6496940
3'-Trifluoromethyl-3,4,5,6-Tetrahydro-2H-[1,2']Bipyridinyl-4-Carboxylic Acid
CID 11288815
1-(5-Cyano-2-pyridinyl)-4-piperidinecarboxylic acid
CID 16227474

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid (CID 63125819) is 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is MYVWCVPUNDDCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-14(13(18)19)4-7-17(8-5-14)12-9-11(10-15)3-6-16-12/h3,6,9H,2,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid?
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-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-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).