1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one

C13H24N2O — CID 115722304

IUPAC1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one
SMILESC=CCC(C)C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C13H24N2O/c1-5-6-10(2)11(3)14-12-7-8-13(16)15(4)9-12/h5,10-12,14H,1,6-9H2,2-4H3
InChIKeyZHNMOGOXIYGBSB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.80
Rot. Bonds5

About 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one

1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one (PubChem CID 115722304) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one
PubChem CID115722304
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one
SMILESC=CCC(C)C(C)NC1CCC(=O)N(C)C1
InChIInChI=1S/C13H24N2O/c1-5-6-10(2)11(3)14-12-7-8-13(16)15(4)9-12/h5,10-12,14H,1,6-9H2,2-4H3
InChIKeyZHNMOGOXIYGBSB-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one (CID 115722304) is 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one is C=CCC(C)C(C)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one?
The InChIKey is ZHNMOGOXIYGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-10(2)11(3)14-12-7-8-13(16)15(4)9-12/h5,10-12,14H,1,6-9H2,2-4H3.
What are the key properties of 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one?
1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylhex-5-en-2-ylamino)piperidin-2-one is sourced from PubChem (CID 115722304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).