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

C14H17N3O2 — CID 62893419

IUPAC2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
SMILESN#Cc1ncccc1CN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H17N3O2/c15-8-13-12(4-1-5-16-13)10-17-6-2-3-11(9-17)7-14(18)19/h1,4-5,11H,2-3,6-7,9-10H2,(H,18,19)
InChIKeyDQBMIQSEZASOFT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds4

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

2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 62893419) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
PubChem CID62893419
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
SMILESN#Cc1ncccc1CN1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H17N3O2/c15-8-13-12(4-1-5-16-13)10-17-6-2-3-11(9-17)7-14(18)19/h1,4-5,11H,2-3,6-7,9-10H2,(H,18,19)
InChIKeyDQBMIQSEZASOFT-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid (CID 62893419) is 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid is N#Cc1ncccc1CN1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is DQBMIQSEZASOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-13-12(4-1-5-16-13)10-17-6-2-3-11(9-17)7-14(18)19/h1,4-5,11H,2-3,6-7,9-10H2,(H,18,19).
What are the key properties of 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62893419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).