oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C15H27N3O2 — CID 126892184

IUPACoxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)C3CCCO3)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-5-7-17(8-6-16)13-10-18(11-13)15(19)14-4-3-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyYHPLDNRFYBUFHU-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.40
Rot. Bonds3

About oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126892184) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126892184
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nameoxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)C3CCCO3)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)16-5-7-17(8-6-16)13-10-18(11-13)15(19)14-4-3-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyYHPLDNRFYBUFHU-UHFFFAOYSA-N
XLogP0.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
CID 95346669
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126892184) is oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is CC(C)N1CCN(C2CN(C(=O)C3CCCO3)C2)CC1.
What is the InChIKey of oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is YHPLDNRFYBUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)16-5-7-17(8-6-16)13-10-18(11-13)15(19)14-4-3-9-20-14/h12-14H,3-11H2,1-2H3.
What are the key properties of oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 281.40 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126892184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).