methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate

C15H28N2O2 — CID 83996950

IUPACmethyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
SMILESCCN1CC(CC(=O)OC)CC(NCC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-17-10-13(8-15(18)19-2)7-14(11-17)16-9-12-5-4-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyZUYXJGLKNMRCBV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds6

About methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate

methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate (PubChem CID 83996950) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
PubChem CID83996950
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
SMILESCCN1CC(CC(=O)OC)CC(NCC2CCC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-17-10-13(8-15(18)19-2)7-14(11-17)16-9-12-5-4-6-12/h12-14,16H,3-11H2,1-2H3
InChIKeyZUYXJGLKNMRCBV-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
3-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]propanoic acid
CID 83996953
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
CID 83990573
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate (CID 83996950) is methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate is CCN1CC(CC(=O)OC)CC(NCC2CCC2)C1.
What is the InChIKey of methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate?
The InChIKey is ZUYXJGLKNMRCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17-10-13(8-15(18)19-2)7-14(11-17)16-9-12-5-4-6-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate?
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate is sourced from PubChem (CID 83996950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).