2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

C18H32N2O3 — CID 165116537

IUPAC2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-13(2)17(21)19-9-5-15(6-10-19)23-16-7-11-20(12-8-16)18(22)14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyJAELPEVUTTYIHY-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 165116537) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID165116537
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Name2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H32N2O3/c1-13(2)17(21)19-9-5-15(6-10-19)23-16-7-11-20(12-8-16)18(22)14(3)4/h13-16H,5-12H2,1-4H3
InChIKeyJAELPEVUTTYIHY-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropane;4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidine-1-carbaldehyde
CID 156707450
ethane;(E)-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]pent-2-en-1-one
CID 156707517
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
CID 138648412
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[3-(methylidene-λ3-iodanyl)propoxy]piperidin-1-yl]propan-1-one
CID 163400095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 165116537) is 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(OC2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is JAELPEVUTTYIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(2)17(21)19-9-5-15(6-10-19)23-16-7-11-20(12-8-16)18(22)14(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 324.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 165116537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).