3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid

C15H26N2O4 — CID 63136471

IUPAC3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(18)19)6-4-7-17(11-15)14(20)16-9-12-5-3-8-21-10-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyBVCTUAHWIVRYKU-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds4

About 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid

3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63136471) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63136471
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)NCC2CCCOC2)C1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(18)19)6-4-7-17(11-15)14(20)16-9-12-5-3-8-21-10-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyBVCTUAHWIVRYKU-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(oxan-3-ylmethyl)piperidine-3-carboxylic acid
CID 65068448
1-(oxolan-2-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63135781
1-(oxan-3-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63361782
1-(oxan-3-ylmethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978366
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
3-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63829635
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-[(1,1-dioxothiolan-3-yl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147573
2-ethyl-2-methyl-N-(oxolan-3-ylmethyl)morpholine-4-carboxamide
CID 86818299
3-ethyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-3-carboxylic acid
CID 63960365
1-(3-aminopropylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63137242
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid (CID 63136471) is 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)NCC2CCCOC2)C1.
What is the InChIKey of 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is BVCTUAHWIVRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-15(13(18)19)6-4-7-17(11-15)14(20)16-9-12-5-3-8-21-10-12/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid?
3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxan-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).