(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone

C13H23NO2 — CID 166255969

IUPAC(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone
SMILESCC1CCN(C(=O)C2(C(C)C)COC2)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)13(8-16-9-13)12(15)14-6-4-11(3)5-7-14/h10-11H,4-9H2,1-3H3
InChIKeyFZCKBAJHYXGFSM-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.92
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone

(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone (PubChem CID 166255969) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone
PubChem CID166255969
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone
SMILESCC1CCN(C(=O)C2(C(C)C)COC2)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)13(8-16-9-13)12(15)14-6-4-11(3)5-7-14/h10-11H,4-9H2,1-3H3
InChIKeyFZCKBAJHYXGFSM-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-propan-2-yloxetane-3-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 136565082
ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid
CID 144652681
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
1-[3-(difluoromethyl)-3-(4-methylpiperidine-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
CID 178013346
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
[(3aS,7aS)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl]-(4-methylpiperidin-1-yl)methanone
CID 138014882
cis-(1S,3R)-2,2-dimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 51674234

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone (CID 166255969) is (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone is CC1CCN(C(=O)C2(C(C)C)COC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone?
The InChIKey is FZCKBAJHYXGFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)13(8-16-9-13)12(15)14-6-4-11(3)5-7-14/h10-11H,4-9H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone?
(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone is sourced from PubChem (CID 166255969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).