ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate

C16H30N2O2 — CID 83996913

IUPACethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
SMILESCCOC(=O)CCC1CC(NCC2CCC2)CN(C)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-16(19)8-7-14-9-15(12-18(2)11-14)17-10-13-5-4-6-13/h13-15,17H,3-12H2,1-2H3
InChIKeyQLDXIKGXLAYCCI-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds7

About ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate

ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate (PubChem CID 83996913) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
PubChem CID83996913
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
SMILESCCOC(=O)CCC1CC(NCC2CCC2)CN(C)C1
InChIInChI=1S/C16H30N2O2/c1-3-20-16(19)8-7-14-9-15(12-18(2)11-14)17-10-13-5-4-6-13/h13-15,17H,3-12H2,1-2H3
InChIKeyQLDXIKGXLAYCCI-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
CID 83989535
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate?
The IUPAC name of ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate (CID 83996913) is ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate is CCOC(=O)CCC1CC(NCC2CCC2)CN(C)C1.
What is the InChIKey of ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate?
The InChIKey is QLDXIKGXLAYCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-20-16(19)8-7-14-9-15(12-18(2)11-14)17-10-13-5-4-6-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate?
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate has a molecular weight of 282.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate is sourced from PubChem (CID 83996913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).