4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

C14H24N2O4 — CID 66248383

IUPAC4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NC2COCC2(C)C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-4-10(2)6-16(5-9)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySFZKMUIAHKWPCW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.16
Rot. Bonds2

About 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248383) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248383
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NC2COCC2(C)C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-4-10(2)6-16(5-9)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeySFZKMUIAHKWPCW-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66248383) is 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is CC1CC(C)CN(C(=O)NC2COCC2(C)C(=O)O)C1.
What is the InChIKey of 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is SFZKMUIAHKWPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-4-10(2)6-16(5-9)13(19)15-11-7-20-8-14(11,3)12(17)18/h9-11H,4-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidine-1-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).