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

C14H17N3O3 — CID 63904911

IUPAC2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESN#Cc1ncccc1CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H17N3O3/c15-8-13-11(2-1-5-16-13)9-17-6-3-12(4-7-17)20-10-14(18)19/h1-2,5,12H,3-4,6-7,9-10H2,(H,18,19)
InChIKeyJXVFCOLDKYIYFP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.02
Rot. Bonds5

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

2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63904911) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
PubChem CID63904911
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
SMILESN#Cc1ncccc1CN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H17N3O3/c15-8-13-11(2-1-5-16-13)9-17-6-3-12(4-7-17)20-10-14(18)19/h1-2,5,12H,3-4,6-7,9-10H2,(H,18,19)
InChIKeyJXVFCOLDKYIYFP-UHFFFAOYSA-N
XLogP1.02
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid (CID 63904911) is 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid is N#Cc1ncccc1CN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is JXVFCOLDKYIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-8-13-11(2-1-5-16-13)9-17-6-3-12(4-7-17)20-10-14(18)19/h1-2,5,12H,3-4,6-7,9-10H2,(H,18,19).
What are the key properties of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).