[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid

C16H30N2O4 — CID 69039151

IUPAC[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid
SMILESCOCCO[C@@H]1CCCN(CC2CCCCC2NC(=O)O)C1
InChIInChI=1S/C16H30N2O4/c1-21-9-10-22-14-6-4-8-18(12-14)11-13-5-2-3-7-15(13)17-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20)/t13?,14-,15?/m1/s1
InChIKeyFUNYQKCQNAQKOK-SHARSMKWSA-N
MW314.43 g/mol
LogP1.94
Rot. Bonds7

About [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid

[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid (PubChem CID 69039151) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid
PubChem CID69039151
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid
SMILESCOCCO[C@@H]1CCCN(CC2CCCCC2NC(=O)O)C1
InChIInChI=1S/C16H30N2O4/c1-21-9-10-22-14-6-4-8-18(12-14)11-13-5-2-3-7-15(13)17-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20)/t13?,14-,15?/m1/s1
InChIKeyFUNYQKCQNAQKOK-SHARSMKWSA-N
XLogP1.94
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid?
The IUPAC name of [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid (CID 69039151) is [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid?
The canonical SMILES for [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid is COCCO[C@@H]1CCCN(CC2CCCCC2NC(=O)O)C1.
What is the InChIKey of [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid?
The InChIKey is FUNYQKCQNAQKOK-SHARSMKWSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-21-9-10-22-14-6-4-8-18(12-14)11-13-5-2-3-7-15(13)17-16(19)20/h13-15,17H,2-12H2,1H3,(H,19,20)/t13?,14-,15?/m1/s1.
What are the key properties of [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid?
[2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid has a molecular weight of 314.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3R)-3-(2-methoxyethoxy)piperidin-1-yl]methyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 69039151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).