1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one

C19H34N2O2 — CID 91532737

IUPAC1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1
InChIInChI=1S/C19H34N2O2/c1-14(2)15-6-10-21(18(23)12-15)11-8-19(3,4)16-7-9-20(5)17(22)13-16/h14-16H,6-13H2,1-5H3
InChIKeyXQWHHOZQDPURHA-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one

1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one (PubChem CID 91532737) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one
PubChem CID91532737
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1
InChIInChI=1S/C19H34N2O2/c1-14(2)15-6-10-21(18(23)12-15)11-8-19(3,4)16-7-9-20(5)17(22)13-16/h14-16H,6-13H2,1-5H3
InChIKeyXQWHHOZQDPURHA-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one (CID 91532737) is 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one is CC(C)C1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1.
What is the InChIKey of 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one?
The InChIKey is XQWHHOZQDPURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-14(2)15-6-10-21(18(23)12-15)11-8-19(3,4)16-7-9-20(5)17(22)13-16/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one?
1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one has a molecular weight of 322.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]-4-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 91532737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).