ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate

C16H30N2O2 — CID 63053623

IUPACethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(CC)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-3-13-7-10-18(11-8-13)12-9-15(16(19)20-4-2)17-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyLNLBUYSNUVCVCQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate (PubChem CID 63053623) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
PubChem CID63053623
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(CC)CC1)NC1CC1
InChIInChI=1S/C16H30N2O2/c1-3-13-7-10-18(11-8-13)12-9-15(16(19)20-4-2)17-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyLNLBUYSNUVCVCQ-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
ethyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)butanoate
CID 115561433
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63971806
ethyl 2-(cyclopropylamino)-4-(2,6-dimethylmorpholin-4-yl)butanoate
CID 63027402
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
ethyl 2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanoate
CID 64579622
ethyl 2-(cyclopropylamino)-4-(1,2,4-triazol-1-yl)butanoate
CID 63041057
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)propanoate
CID 102966348

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate (CID 63053623) is ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate is CCOC(=O)C(CCN1CCC(CC)CC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate?
The InChIKey is LNLBUYSNUVCVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-13-7-10-18(11-8-13)12-9-15(16(19)20-4-2)17-14-5-6-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate is sourced from PubChem (CID 63053623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).