methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate

C15H30N2O3 — CID 63054326

IUPACmethyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
SMILESCCCOC1CCCN(CCC(NCC)C(=O)OC)C1
InChIInChI=1S/C15H30N2O3/c1-4-11-20-13-7-6-9-17(12-13)10-8-14(16-5-2)15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyNYICPYGOOJKLGR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds9

About methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate

methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate (PubChem CID 63054326) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
PubChem CID63054326
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate
SMILESCCCOC1CCCN(CCC(NCC)C(=O)OC)C1
InChIInChI=1S/C15H30N2O3/c1-4-11-20-13-7-6-9-17(12-13)10-8-14(16-5-2)15(18)19-3/h13-14,16H,4-12H2,1-3H3
InChIKeyNYICPYGOOJKLGR-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
N-ethyl-4,4-dimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 62624096
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
methyl 4-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 102966487
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
1-methoxy-3-(3-propoxypiperidin-1-yl)propan-2-one
CID 107507196
5-methyl-N-[2-(3-propoxypiperidin-1-yl)ethyl]hexan-2-amine
CID 62558297

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate (CID 63054326) is methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate is CCCOC1CCCN(CCC(NCC)C(=O)OC)C1.
What is the InChIKey of methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate?
The InChIKey is NYICPYGOOJKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-11-20-13-7-6-9-17(12-13)10-8-14(16-5-2)15(18)19-3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate?
methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(3-propoxypiperidin-1-yl)butanoate is sourced from PubChem (CID 63054326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).