ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate

C14H26N2O4 — CID 115949885

IUPACethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-13(18)15-11-7-6-8-16(9-11)12(17)10-20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyYJQYDVSHYYZOAN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.54
Rot. Bonds4

About ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate (PubChem CID 115949885) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
PubChem CID115949885
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-13(18)15-11-7-6-8-16(9-11)12(17)10-20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyYJQYDVSHYYZOAN-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate (CID 115949885) is ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)COC(C)(C)C)C1.
What is the InChIKey of ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate?
The InChIKey is YJQYDVSHYYZOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-13(18)15-11-7-6-8-16(9-11)12(17)10-20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 115949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).