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

C14H17N3O2 — CID 62924471

IUPAC3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
SMILESN#Cc1cc(N2CCC(CCC(=O)O)CC2)ccn1
InChIInChI=1S/C14H17N3O2/c15-10-12-9-13(3-6-16-12)17-7-4-11(5-8-17)1-2-14(18)19/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,19)
InChIKeyPMWRYVAUOLKLHQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.03
Rot. Bonds4

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

3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid (PubChem CID 62924471) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
PubChem CID62924471
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
SMILESN#Cc1cc(N2CCC(CCC(=O)O)CC2)ccn1
InChIInChI=1S/C14H17N3O2/c15-10-12-9-13(3-6-16-12)17-7-4-11(5-8-17)1-2-14(18)19/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,19)
InChIKeyPMWRYVAUOLKLHQ-UHFFFAOYSA-N
XLogP2.03
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
(3S,4S)-1-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063676
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 62491107
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid (CID 62924471) is 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid is N#Cc1cc(N2CCC(CCC(=O)O)CC2)ccn1.
What is the InChIKey of 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid?
The InChIKey is PMWRYVAUOLKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-12-9-13(3-6-16-12)17-7-4-11(5-8-17)1-2-14(18)19/h3,6,9,11H,1-2,4-5,7-8H2,(H,18,19).
What are the key properties of 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid?
3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62924471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).