methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O2 — CID 79651204

IUPACmethyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCC1(C)CCN(C2CCC(N)(C(=O)OC)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-14(2)7-9-17(10-8-14)12-5-6-15(16,11-12)13(18)19-3/h12H,4-11,16H2,1-3H3
InChIKeyWBBDFOHOKDCWAG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds3

About methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate

methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79651204) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79651204
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCCC1(C)CCN(C2CCC(N)(C(=O)OC)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-4-14(2)7-9-17(10-8-14)12-5-6-15(16,11-12)13(18)19-3/h12H,4-11,16H2,1-3H3
InChIKeyWBBDFOHOKDCWAG-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-amino-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cyclopentane-1-carboxylate
CID 79648094
1-amino-3-(4,4-diethylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 79651839
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
methyl 1-amino-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carboxylate
CID 79633959
ethyl 1-amino-3-(4-propylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79651264
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
methyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79651759
ethyl 1-amino-3-(3-methoxy-3-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 107394788
methyl 1-amino-3-(4-tert-butylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79627839
methyl 1-amino-3-(4-ethoxypyrazol-1-yl)cyclopentane-1-carboxylate
CID 114274338
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate (CID 79651204) is methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate is CCC1(C)CCN(C2CCC(N)(C(=O)OC)C2)CC1.
What is the InChIKey of methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is WBBDFOHOKDCWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-14(2)7-9-17(10-8-14)12-5-6-15(16,11-12)13(18)19-3/h12H,4-11,16H2,1-3H3.
What are the key properties of methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate?
methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(4-ethyl-4-methylpiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79651204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).