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

C15H26N2O4 — CID 66235615

IUPAC4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)N(C)C2COCC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17(2)12-10-21-9-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyYBBYXZLUOOFYTE-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.71
Rot. Bonds5

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

4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66235615) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66235615
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCC1(C(=O)N(C)C2COCC2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17(2)12-10-21-9-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyYBBYXZLUOOFYTE-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66236430
4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247507
4-[methyl-(3-methylpiperidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66235604
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396
4-ethyl-N-methyl-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 63128518
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 114950868
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267321
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66237632

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 66235615) is 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid is CCCC1(C(=O)N(C)C2COCC2C(=O)O)CCNCC1.
What is the InChIKey of 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is YBBYXZLUOOFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-15(5-7-16-8-6-15)14(20)17(2)12-10-21-9-11(12)13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).