N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide

C18H34N2O2 — CID 56787132

IUPACN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2(C)CCOCC2)C1
InChIInChI=1S/C18H34N2O2/c1-5-15-7-6-10-20(13-15)17(2,3)14-19-16(21)18(4)8-11-22-12-9-18/h15H,5-14H2,1-4H3,(H,19,21)
InChIKeyQJPIESADKGSCJZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide

N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide (PubChem CID 56787132) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide
PubChem CID56787132
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)C2(C)CCOCC2)C1
InChIInChI=1S/C18H34N2O2/c1-5-15-7-6-10-20(13-15)17(2,3)14-19-16(21)18(4)8-11-22-12-9-18/h15H,5-14H2,1-4H3,(H,19,21)
InChIKeyQJPIESADKGSCJZ-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide?
The IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide (CID 56787132) is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide?
The canonical SMILES for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide is CCC1CCCN(C(C)(C)CNC(=O)C2(C)CCOCC2)C1.
What is the InChIKey of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide?
The InChIKey is QJPIESADKGSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-15-7-6-10-20(13-15)17(2,3)14-19-16(21)18(4)8-11-22-12-9-18/h15H,5-14H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide?
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-4-methyloxane-4-carboxamide is sourced from PubChem (CID 56787132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).