3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one

C20H30N2O2 — CID 86787734

IUPAC3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(NC2CC(c3ccccc3C)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-15-5-3-4-6-19(15)16-13-18(14-16)21-17-7-10-22(11-8-17)20(23)9-12-24-2/h3-6,16-18,21H,7-14H2,1-2H3
InChIKeyJTBIABPLHOASDK-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.86
Rot. Bonds6

About 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 86787734) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one
PubChem CID86787734
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(NC2CC(c3ccccc3C)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-15-5-3-4-6-19(15)16-13-18(14-16)21-17-7-10-22(11-8-17)20(23)9-12-24-2/h3-6,16-18,21H,7-14H2,1-2H3
InChIKeyJTBIABPLHOASDK-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one (CID 86787734) is 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(NC2CC(c3ccccc3C)C2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is JTBIABPLHOASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-5-3-4-6-19(15)16-13-18(14-16)21-17-7-10-22(11-8-17)20(23)9-12-24-2/h3-6,16-18,21H,7-14H2,1-2H3.
What are the key properties of 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86787734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).