4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 106587983

IUPAC4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-21-10-11-3-2-8-17(9-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAJBAMVJSGDYQHX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds4

About 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 106587983) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID106587983
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOCC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-21-10-11-3-2-8-17(9-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAJBAMVJSGDYQHX-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

4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
4-[[3-(2-methoxyethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023823
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
4-[[3-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023327
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
(3R)-N-[(1R,2R)-2-methoxycyclohexyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 124741783
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 106587983) is 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is COCC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is AJBAMVJSGDYQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-10-11-3-2-8-17(9-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-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 4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106587983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).