1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 66236289

IUPAC1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2COCC2N)CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-14(13(18)19)4-6-16(7-5-14)12(17)10-8-20-9-11(10)15/h10-11H,2-9,15H2,1H3,(H,18,19)
InChIKeyNYFXRMXLXVLVRM-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.45
Rot. Bonds4

About 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 66236289) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID66236289
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2COCC2N)CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-14(13(18)19)4-6-16(7-5-14)12(17)10-8-20-9-11(10)15/h10-11H,2-9,15H2,1H3,(H,18,19)
InChIKeyNYFXRMXLXVLVRM-UHFFFAOYSA-N
XLogP0.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 66236289) is 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2COCC2N)CC1.
What is the InChIKey of 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is NYFXRMXLXVLVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-14(13(18)19)4-6-16(7-5-14)12(17)10-8-20-9-11(10)15/h10-11H,2-9,15H2,1H3,(H,18,19).
What are the key properties of 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 66236289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).