4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

C14H24N2O5 — CID 102962837

IUPAC4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCOC1CCCN(C(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C14H24N2O5/c1-20-11-3-2-6-16(9-11)13(19)15-10-14(12(17)18)4-7-21-8-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyJMQSLQZRODXIQN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.69
Rot. Bonds4

About 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 102962837) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID102962837
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESCOC1CCCN(C(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C14H24N2O5/c1-20-11-3-2-6-16(9-11)13(19)15-10-14(12(17)18)4-7-21-8-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyJMQSLQZRODXIQN-UHFFFAOYSA-N
XLogP0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102963018
4-[[(3-fluoropiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 154865412
4-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440579
1-[[(3-propoxypiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451446
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
4-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440266
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 102967452
1-[[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436961
4-[[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115440404

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 102962837) is 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is COC1CCCN(C(=O)NCC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is JMQSLQZRODXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-20-11-3-2-6-16(9-11)13(19)15-10-14(12(17)18)4-7-21-8-5-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 102962837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).