methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate

C16H30N2O2 — CID 79563707

IUPACmethyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN1CCC(C)CC1C
InChIInChI=1S/C16H30N2O2/c1-12-6-9-18(13(2)11-12)10-7-14-5-4-8-16(14,17)15(19)20-3/h12-14H,4-11,17H2,1-3H3
InChIKeyAFDZWTWDMPEHAJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.17
Rot. Bonds4

About methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate

methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79563707) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
PubChem CID79563707
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC1CCN1CCC(C)CC1C
InChIInChI=1S/C16H30N2O2/c1-12-6-9-18(13(2)11-12)10-7-14-5-4-8-16(14,17)15(19)20-3/h12-14H,4-11,17H2,1-3H3
InChIKeyAFDZWTWDMPEHAJ-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561597
methyl 1-amino-2-[2-[3-(dimethylamino)piperidin-1-yl]ethyl]cyclopentane-1-carboxylate
CID 79572370
methyl 1-amino-2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79572326
methyl 3-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 62331651
methyl 1-amino-2-[2-(5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571290
ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754
methyl 1-amino-2-[2-(4-chloro-5-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571435
ethyl 1-(methylamino)-2-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577573
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
CID 106448827
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
methyl 1-amino-2-[2-(oxan-4-yloxy)ethyl]cyclopentane-1-carboxylate
CID 79571458

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate (CID 79563707) is methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCCC1CCN1CCC(C)CC1C.
What is the InChIKey of methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is AFDZWTWDMPEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-6-9-18(13(2)11-12)10-7-14-5-4-8-16(14,17)15(19)20-3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate?
methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79563707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).