ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate

C16H30N2O2 — CID 62930268

IUPACethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN1CCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-5-20-14(19)16(4,17-13-6-7-13)12-18-10-8-15(2,3)9-11-18/h13,17H,5-12H2,1-4H3
InChIKeyBHWLZOMUQRCQAM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds6

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

ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate (PubChem CID 62930268) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
PubChem CID62930268
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(CN1CCC(C)(C)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-5-20-14(19)16(4,17-13-6-7-13)12-18-10-8-15(2,3)9-11-18/h13,17H,5-12H2,1-4H3
InChIKeyBHWLZOMUQRCQAM-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 63159620
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
ethyl 2-(cyclopentylamino)-2-methylbutanoate
CID 60997455
3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 63159802
methyl 2-(cyclopropylamino)-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63635966
ethyl 2-(cyclopentylamino)-2-methylpentanoate
CID 60997340
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
ethyl 3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 63971227
ethyl 2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 63972573
ethyl 4-cyclobutyloxy-2-(cyclopropylamino)-2-methylbutanoate
CID 62142000
ethyl 2-(cyclopropylamino)-3-[3-(2-methoxyethoxy)propoxy]-2-methylpropanoate
CID 103404627
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanoate
CID 115561599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate (CID 62930268) is ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)(CN1CCC(C)(C)CC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate?
The InChIKey is BHWLZOMUQRCQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-20-14(19)16(4,17-13-6-7-13)12-18-10-8-15(2,3)9-11-18/h13,17H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate?
ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 62930268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).