2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid

C15H19N3O2 — CID 83197733

IUPAC2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)11-4-3-7-18(10-11)13-5-6-17-12(8-13)9-16/h5-6,8,11H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyRVGHCCCWOSDDLE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds3

About 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83197733) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83197733
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)11-4-3-7-18(10-11)13-5-6-17-12(8-13)9-16/h5-6,8,11H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyRVGHCCCWOSDDLE-UHFFFAOYSA-N
XLogP2.28
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Pyridin-2-ylmethyl-piperidine-4-carboxylic acid hydrochloride
CID 16195169
6-Oxo-6-(9-pyridin-4-yl-3,9-diaza-spiro[5.5]undec-3-yl)-hexanoic acid
CID 44459874
6-Oxo-6-(8-pyridin-4-yl-2,8-diaza-spiro[4.5]dec-2-yl)-hexanoic acid
CID 9950075
1-(Pyridin-4-yl)piperidine-4-carboxylic acid
CID 1268289
Methyl 2-(2-cyanopyridin-3-yl)-2-methylpropanoate
CID 45479905
1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 16217269
2-[1-(Pyridin-4-yl)piperidin-4-yl]acetic acid hydrochloride
CID 68453603
1-(2-Pyridin-2-yl-ethyl)-piperidine-4-carboxylic acid
CID 3159623
1-(Pyridin-2-ylmethyl)piperidine-4-carboxylic acid
CID 3451783
4-Methyl-1-(pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 121553478
1-Methyl-8-(2-methylpyridin-4-YL)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72855237
2-[1-[(1-Pyridin-2-ylethylideneamino)methyl]cyclohexyl]acetic acid
CID 56834928

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83197733) is 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(c2ccnc(C#N)c2)C1.
What is the InChIKey of 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is RVGHCCCWOSDDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,14(19)20)11-4-3-7-18(10-11)13-5-6-17-12(8-13)9-16/h5-6,8,11H,3-4,7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83197733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).