ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate

C17H32N2O2 — CID 112543964

IUPACethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-5-8-14-11-15(18-17(20)21-4-2)13-19(12-14)16-9-6-7-10-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyPPFGJLJDXRSEGF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.56
Rot. Bonds6

About ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate

ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate (PubChem CID 112543964) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
PubChem CID112543964
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
SMILESCCCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-5-8-14-11-15(18-17(20)21-4-2)13-19(12-14)16-9-6-7-10-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyPPFGJLJDXRSEGF-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
CID 112543963
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
5-butyl-1-cyclopentyl-N-cyclopropylpiperidin-3-amine
CID 83991758
methyl N-[1-cyclopentyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543328
5-butyl-1-cyclopentyl-N-(cyclopentylmethyl)piperidin-3-amine
CID 83997977
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373
5-butyl-1-cyclopentyl-N-propylpiperidin-3-amine
CID 83991121
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544027

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate (CID 112543964) is ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate is CCCCC1CC(NC(=O)OCC)CN(C2CCCC2)C1.
What is the InChIKey of ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate?
The InChIKey is PPFGJLJDXRSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-5-8-14-11-15(18-17(20)21-4-2)13-19(12-14)16-9-6-7-10-16/h14-16H,3-13H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate?
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate has a molecular weight of 296.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).