[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

C15H26N2O6 — CID 22665921

IUPAC[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O6/c1-10(16-14(20)21)13(19)17-7-5-11(6-8-17)22-9-12(18)23-15(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,20,21)
InChIKeyNCIQLSNAACKQIP-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.99
Rot. Bonds5

About [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid

[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (PubChem CID 22665921) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
PubChem CID22665921
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O6/c1-10(16-14(20)21)13(19)17-7-5-11(6-8-17)22-9-12(18)23-15(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,20,21)
InChIKeyNCIQLSNAACKQIP-UHFFFAOYSA-N
XLogP0.99
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid (CID 22665921) is [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is NCIQLSNAACKQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-10(16-14(20)21)13(19)17-7-5-11(6-8-17)22-9-12(18)23-15(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,20,21).
What are the key properties of [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid?
[1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 330.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 22665921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).