methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate

C15H28N2O2 — CID 79654810

IUPACmethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCC1CCCCN1C1CCC(NC)(C(=O)OC)C1
InChIInChI=1S/C15H28N2O2/c1-4-12-7-5-6-10-17(12)13-8-9-15(11-13,16-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyHJYYRDFGHGZYEV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds4

About methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79654810) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79654810
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCC1CCCCN1C1CCC(NC)(C(=O)OC)C1
InChIInChI=1S/C15H28N2O2/c1-4-12-7-5-6-10-17(12)13-8-9-15(11-13,16-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyHJYYRDFGHGZYEV-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
methyl 1-(methylamino)-3-(2-propylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 83044318
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
CID 104691659
methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645895
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
methyl 3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79644417
ethyl 1-(methylamino)-3-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylate
CID 79637035
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
methyl 1-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79655269
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate (CID 79654810) is methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate is CCC1CCCCN1C1CCC(NC)(C(=O)OC)C1.
What is the InChIKey of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is HJYYRDFGHGZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-12-7-5-6-10-17(12)13-8-9-15(11-13,16-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79654810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).