2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone

C16H27NO3 — CID 99782856

IUPAC2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CCC1)N1CCC(OC[C@H]2CCOC2)CC1
InChIInChI=1S/C16H27NO3/c18-16(10-13-2-1-3-13)17-7-4-15(5-8-17)20-12-14-6-9-19-11-14/h13-15H,1-12H2/t14-/m0/s1
InChIKeyZNXJGPOTAPLLSQ-AWEZNQCLSA-N
MW281.40 g/mol
LogP2.22
Rot. Bonds5

About 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone

2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone (PubChem CID 99782856) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
PubChem CID99782856
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CCC1)N1CCC(OC[C@H]2CCOC2)CC1
InChIInChI=1S/C16H27NO3/c18-16(10-13-2-1-3-13)17-7-4-15(5-8-17)20-12-14-6-9-19-11-14/h13-15H,1-12H2/t14-/m0/s1
InChIKeyZNXJGPOTAPLLSQ-AWEZNQCLSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
1-[4-(2-bromoethoxy)piperidin-1-yl]-2-cycloheptylethanone
CID 114459118
cyclopentyl-[3-(oxolan-3-ylmethoxy)azetidin-1-yl]methanone
CID 134160596
[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
CID 86788515
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129357459
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
CID 100703567
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
CID 75477133
2-cyclopentyl-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 121091445

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone (CID 99782856) is 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone is O=C(CC1CCC1)N1CCC(OC[C@H]2CCOC2)CC1.
What is the InChIKey of 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is ZNXJGPOTAPLLSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO3/c18-16(10-13-2-1-3-13)17-7-4-15(5-8-17)20-12-14-6-9-19-11-14/h13-15H,1-12H2/t14-/m0/s1.
What are the key properties of 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone?
2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 99782856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).