1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one

C17H31NO3 — CID 137448915

IUPAC1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one
SMILESCC(CC1CCCC(=O)N1C(C)(C)C)OC1CCOCC1
InChIInChI=1S/C17H31NO3/c1-13(21-15-8-10-20-11-9-15)12-14-6-5-7-16(19)18(14)17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyDRNCVESXGGOAGN-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.14
Rot. Bonds4

About 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one

1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one (PubChem CID 137448915) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one
PubChem CID137448915
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one
SMILESCC(CC1CCCC(=O)N1C(C)(C)C)OC1CCOCC1
InChIInChI=1S/C17H31NO3/c1-13(21-15-8-10-20-11-9-15)12-14-6-5-7-16(19)18(14)17(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyDRNCVESXGGOAGN-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-6-propan-2-ylpiperidin-2-one
CID 139951302
N-methyl-2-(oxan-4-yloxy)propan-1-amine
CID 62440891
1-tert-butyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 14509069
N-[2-(oxan-4-yloxy)propyl]aniline
CID 62584422
(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
CID 58465109
2-(oxan-4-yloxy)pentan-3-one
CID 64867602
(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one
CID 97102129
propan-2-yl 5,5-dimethyl-2-(oxan-4-yloxy)hexanoate
CID 158607220
1,5-bis(2-methylpropyl)pyrrolidin-2-one
CID 139951379
propan-2-yl 7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxopiperidin-1-yl]heptanoate
CID 23577213
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
cis-(2S,3R)-2-morpholin-4-yl-3-(1-nitroethyl)cyclohexan-1-one
CID 23273235

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one?
The IUPAC name of 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one (CID 137448915) is 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one.
What is the SMILES notation for 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one?
The canonical SMILES for 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one is CC(CC1CCCC(=O)N1C(C)(C)C)OC1CCOCC1.
What is the InChIKey of 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one?
The InChIKey is DRNCVESXGGOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(21-15-8-10-20-11-9-15)12-14-6-5-7-16(19)18(14)17(2,3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one?
1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one has a molecular weight of 297.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[2-(oxan-4-yloxy)propyl]piperidin-2-one is sourced from PubChem (CID 137448915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).