3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid

C14H24N2O4 — CID 64889473

IUPAC3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)NC2(C(=O)O)CCOC2)CCNCC1
InChIInChI=1S/C14H24N2O4/c1-2-3-13(4-7-15-8-5-13)11(17)16-14(12(18)19)6-9-20-10-14/h15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyNBQTYJZETCLFEZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.52
Rot. Bonds5

About 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid

3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 64889473) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID64889473
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)NC2(C(=O)O)CCOC2)CCNCC1
InChIInChI=1S/C14H24N2O4/c1-2-3-13(4-7-15-8-5-13)11(17)16-14(12(18)19)6-9-20-10-14/h15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyNBQTYJZETCLFEZ-UHFFFAOYSA-N
XLogP0.52
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 64889473) is 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid is CCCC1(C(=O)NC2(C(=O)O)CCOC2)CCNCC1.
What is the InChIKey of 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NBQTYJZETCLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-13(4-7-15-8-5-13)11(17)16-14(12(18)19)6-9-20-10-14/h15H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).