ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate

C17H32N2O2 — CID 63159620

IUPACethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN1CCC(C)(CC)CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-5-16(3)9-11-19(12-10-16)13-17(4,15(20)21-6-2)18-14-7-8-14/h14,18H,5-13H2,1-4H3
InChIKeyJAQQCIRWIDEUAT-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate

ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate (PubChem CID 63159620) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
PubChem CID63159620
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN1CCC(C)(CC)CC1)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-5-16(3)9-11-19(12-10-16)13-17(4,15(20)21-6-2)18-14-7-8-14/h14,18H,5-13H2,1-4H3
InChIKeyJAQQCIRWIDEUAT-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
CID 62930268
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 63159036
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63635966
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)propanamide
CID 63925013
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate (CID 63159620) is ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)(CN1CCC(C)(CC)CC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate?
The InChIKey is JAQQCIRWIDEUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-16(3)9-11-19(12-10-16)13-17(4,15(20)21-6-2)18-14-7-8-14/h14,18H,5-13H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate?
ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 63159620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).