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

C17H30N2O2 — CID 91075674

IUPAC4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one
SMILESCC1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1
InChIInChI=1S/C17H30N2O2/c1-13-5-9-19(16(21)11-13)10-7-17(2,3)14-6-8-18(4)15(20)12-14/h13-14H,5-12H2,1-4H3
InChIKeyRLGUWCYUBKLHNA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.53
Rot. Bonds4

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

4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one (PubChem CID 91075674) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one
PubChem CID91075674
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one
SMILESCC1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1
InChIInChI=1S/C17H30N2O2/c1-13-5-9-19(16(21)11-13)10-7-17(2,3)14-6-8-18(4)15(20)12-14/h13-14H,5-12H2,1-4H3
InChIKeyRLGUWCYUBKLHNA-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one?
The IUPAC name of 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one (CID 91075674) is 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one.
What is the SMILES notation for 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one?
The canonical SMILES for 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one is CC1CCN(CCC(C)(C)C2CCN(C)C(=O)C2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one?
The InChIKey is RLGUWCYUBKLHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-5-9-19(16(21)11-13)10-7-17(2,3)14-6-8-18(4)15(20)12-14/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one?
4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one has a molecular weight of 294.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-methyl-3-(1-methyl-2-oxopiperidin-4-yl)butyl]piperidin-2-one is sourced from PubChem (CID 91075674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).