4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one

C16H26N2O2 — CID 158832903

IUPAC4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)C1CCNC(=O)C1.CC(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H15NO.C8H11NO/c2*1-6(2)7-3-4-9-8(10)5-7/h6-7H,3-5H2,1-2H3,(H,9,10);3-6H,1-2H3,(H,9,10)
InChIKeyIXGQPJHRLRGTGU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.67
Rot. Bonds2

About 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one

4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one (PubChem CID 158832903) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one
PubChem CID158832903
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)C1CCNC(=O)C1.CC(C)c1cc[nH]c(=O)c1
InChIInChI=1S/C8H15NO.C8H11NO/c2*1-6(2)7-3-4-9-8(10)5-7/h6-7H,3-5H2,1-2H3,(H,9,10);3-6H,1-2H3,(H,9,10)
InChIKeyIXGQPJHRLRGTGU-UHFFFAOYSA-N
XLogP2.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one (CID 158832903) is 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one is CC(C)C1CCNC(=O)C1.CC(C)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IXGQPJHRLRGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C8H11NO/c2*1-6(2)7-3-4-9-8(10)5-7/h6-7H,3-5H2,1-2H3,(H,9,10);3-6H,1-2H3,(H,9,10).
What are the key properties of 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one?
4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidin-2-one;4-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 158832903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).