1-(3-methylbutanoyl)piperidin-4-one

C10H17NO2 — CID 24701518

IUPAC1-(3-methylbutanoyl)piperidin-4-one
SMILESCC(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(13)11-5-3-9(12)4-6-11/h8H,3-7H2,1-2H3
InChIKeyASFUVWVBSJTGKJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-methylbutanoyl)piperidin-4-one

1-(3-methylbutanoyl)piperidin-4-one (PubChem CID 24701518) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-methylbutanoyl)piperidin-4-one
PubChem CID24701518
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3-methylbutanoyl)piperidin-4-one
SMILESCC(C)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(2)7-10(13)11-5-3-9(12)4-6-11/h8H,3-7H2,1-2H3
InChIKeyASFUVWVBSJTGKJ-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)piperidin-4-one?
The IUPAC name of 1-(3-methylbutanoyl)piperidin-4-one (CID 24701518) is 1-(3-methylbutanoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-methylbutanoyl)piperidin-4-one?
The canonical SMILES for 1-(3-methylbutanoyl)piperidin-4-one is CC(C)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(3-methylbutanoyl)piperidin-4-one?
The InChIKey is ASFUVWVBSJTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-10(13)11-5-3-9(12)4-6-11/h8H,3-7H2,1-2H3.
What are the key properties of 1-(3-methylbutanoyl)piperidin-4-one?
1-(3-methylbutanoyl)piperidin-4-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)piperidin-4-one is sourced from PubChem (CID 24701518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).