4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

C15H26N2O4 — CID 115439984

IUPAC4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCC1(C(=O)NCC2(C(=O)O)CCOCC2)CCCNC1
InChIInChI=1S/C15H26N2O4/c1-2-14(4-3-7-16-10-14)12(18)17-11-15(13(19)20)5-8-21-9-6-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyRSVOBVWAAVXDSC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.76
Rot. Bonds5

About 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115439984) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115439984
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCCC1(C(=O)NCC2(C(=O)O)CCOCC2)CCCNC1
InChIInChI=1S/C15H26N2O4/c1-2-14(4-3-7-16-10-14)12(18)17-11-15(13(19)20)5-8-21-9-6-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyRSVOBVWAAVXDSC-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-morpholin-4-ylpiperidine-3-carboxamide
CID 83015753
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439913
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131743
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475549

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 115439984) is 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is CCC1(C(=O)NCC2(C(=O)O)CCOCC2)CCCNC1.
What is the InChIKey of 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is RSVOBVWAAVXDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-14(4-3-7-16-10-14)12(18)17-11-15(13(19)20)5-8-21-9-6-15/h16H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115439984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).