3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid

C15H24N2O2 — CID 81046821

IUPAC3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C15H24N2O2/c1-12(9-14(18)19)13-3-2-8-17(10-13)11-15(4-5-15)6-7-16/h12-13H,2-6,8-11H2,1H3,(H,18,19)
InChIKeyFKUJQDPWUZEECD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.50
Rot. Bonds6

About 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid

3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid (PubChem CID 81046821) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
PubChem CID81046821
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C15H24N2O2/c1-12(9-14(18)19)13-3-2-8-17(10-13)11-15(4-5-15)6-7-16/h12-13H,2-6,8-11H2,1H3,(H,18,19)
InChIKeyFKUJQDPWUZEECD-UHFFFAOYSA-N
XLogP2.50
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid (CID 81046821) is 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(CC2(CC#N)CC2)C1.
What is the InChIKey of 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid?
The InChIKey is FKUJQDPWUZEECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(9-14(18)19)13-3-2-8-17(10-13)11-15(4-5-15)6-7-16/h12-13H,2-6,8-11H2,1H3,(H,18,19).
What are the key properties of 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid?
3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).