[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate

C15H28N2O3 — CID 44543840

IUPAC[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate
SMILESCOCCN1CCC(COC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-19-11-10-17-8-6-13(7-9-17)12-20-15(18)16-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyCVTLUBHCSJAIAA-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds6

About [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate

[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate (PubChem CID 44543840) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate.

Molecular Properties

Compound Name[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate
PubChem CID44543840
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate
SMILESCOCCN1CCC(COC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-19-11-10-17-8-6-13(7-9-17)12-20-15(18)16-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyCVTLUBHCSJAIAA-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate?
The IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate (CID 44543840) is [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate.
What is the SMILES notation for [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate?
The canonical SMILES for [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate is COCCN1CCC(COC(=O)NC2CCCC2)CC1.
What is the InChIKey of [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate?
The InChIKey is CVTLUBHCSJAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-11-10-17-8-6-13(7-9-17)12-20-15(18)16-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate?
[1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)piperidin-4-yl]methyl N-cyclopentylcarbamate is sourced from PubChem (CID 44543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).