3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one

C21H38N2O2 — CID 176580016

IUPAC3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(C2(C3CCN(C(C)C)CC3)COC2)CC1
InChIInChI=1S/C21H38N2O2/c1-16(2)20(24)13-22-9-5-18(6-10-22)21(14-25-15-21)19-7-11-23(12-8-19)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyZVEVHYSQEHWDPE-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.06
Rot. Bonds6

About 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one

3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one (PubChem CID 176580016) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one
PubChem CID176580016
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one
SMILESCC(C)C(=O)CN1CCC(C2(C3CCN(C(C)C)CC3)COC2)CC1
InChIInChI=1S/C21H38N2O2/c1-16(2)20(24)13-22-9-5-18(6-10-22)21(14-25-15-21)19-7-11-23(12-8-19)17(3)4/h16-19H,5-15H2,1-4H3
InChIKeyZVEVHYSQEHWDPE-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one with MolForge

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Related Compounds

3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
3-methyl-1-[4-(3-methylbut-1-ynyl)piperidin-1-yl]butan-2-one
CID 167366052
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one
CID 167327792
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43746779
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 63913213
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one?
The IUPAC name of 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one (CID 176580016) is 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one?
The canonical SMILES for 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one is CC(C)C(=O)CN1CCC(C2(C3CCN(C(C)C)CC3)COC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one?
The InChIKey is ZVEVHYSQEHWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-16(2)20(24)13-22-9-5-18(6-10-22)21(14-25-15-21)19-7-11-23(12-8-19)17(3)4/h16-19H,5-15H2,1-4H3.
What are the key properties of 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one?
3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one has a molecular weight of 350.55 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 176580016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).