2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one

C14H25NO2 — CID 163969592

IUPAC2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1COC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(16)15-8-4-3-5-13(15)7-6-12-9-17-10-12/h11-13H,3-10H2,1-2H3
InChIKeySOVFIMPADYHDOC-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one

2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 163969592) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID163969592
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCCC1CCC1COC1
InChIInChI=1S/C14H25NO2/c1-11(2)14(16)15-8-4-3-5-13(15)7-6-12-9-17-10-12/h11-13H,3-10H2,1-2H3
InChIKeySOVFIMPADYHDOC-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-[2-(oxan-4-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163992865
1-[2-[2-(4-hydroxycyclohexyl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 163854498
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
1-[2-(2-aminooxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 82040224
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
3-methyl-1-[2-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-1-yl]butane-1,2-dione
CID 167680940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one (CID 163969592) is 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCCC1CCC1COC1.
What is the InChIKey of 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is SOVFIMPADYHDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)14(16)15-8-4-3-5-13(15)7-6-12-9-17-10-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 163969592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).