ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O2 — CID 79650486

IUPACethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16)6-5-13(8-15)17-9-11(2)7-12(3)10-17/h11-13H,4-10,16H2,1-3H3
InChIKeyYPIXOYLCBFOYCG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79650486) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79650486
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-14(18)15(16)6-5-13(8-15)17-9-11(2)7-12(3)10-17/h11-13H,4-10,16H2,1-3H3
InChIKeyYPIXOYLCBFOYCG-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 102966438
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
ethyl 1-amino-3-(2,5-dimethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79654900
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
[1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentyl]methanol
CID 79656844
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651204
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
CID 79649099
ethyl 1-amino-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carboxylate
CID 79653723
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 79650486) is ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N2CC(C)CC(C)C2)C1.
What is the InChIKey of ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is YPIXOYLCBFOYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-14(18)15(16)6-5-13(8-15)17-9-11(2)7-12(3)10-17/h11-13H,4-10,16H2,1-3H3.
What are the key properties of ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).