ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate

C16H30N2O2 — CID 112543963

IUPACethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
SMILESCCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-7-13-10-14(17-16(19)20-4-2)12-18(11-13)15-8-5-6-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyPQGLAEQFEPJRQC-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.17
Rot. Bonds5

About ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate

ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate (PubChem CID 112543963) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
PubChem CID112543963
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
SMILESCCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-3-7-13-10-14(17-16(19)20-4-2)12-18(11-13)15-8-5-6-9-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyPQGLAEQFEPJRQC-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate (CID 112543963) is ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate is CCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1.
What is the InChIKey of ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate?
The InChIKey is PQGLAEQFEPJRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-7-13-10-14(17-16(19)20-4-2)12-18(11-13)15-8-5-6-9-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate?
ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate has a molecular weight of 282.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).