1-(7-methyloct-7-enyl)piperidin-2-one

C14H25NO — CID 130256587

IUPAC1-(7-methyloct-7-enyl)piperidin-2-one
SMILESC=C(C)CCCCCCN1CCCCC1=O
InChIInChI=1S/C14H25NO/c1-13(2)9-5-3-4-7-11-15-12-8-6-10-14(15)16/h1,3-12H2,2H3
InChIKeyGGDAYZYFDUHCBB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds7

About 1-(7-methyloct-7-enyl)piperidin-2-one

1-(7-methyloct-7-enyl)piperidin-2-one (PubChem CID 130256587) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(7-methyloct-7-enyl)piperidin-2-one.

Molecular Properties

Compound Name1-(7-methyloct-7-enyl)piperidin-2-one
PubChem CID130256587
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(7-methyloct-7-enyl)piperidin-2-one
SMILESC=C(C)CCCCCCN1CCCCC1=O
InChIInChI=1S/C14H25NO/c1-13(2)9-5-3-4-7-11-15-12-8-6-10-14(15)16/h1,3-12H2,2H3
InChIKeyGGDAYZYFDUHCBB-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(7-methyloct-7-enyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloct-7-enyl)piperidin-2-one?
The IUPAC name of 1-(7-methyloct-7-enyl)piperidin-2-one (CID 130256587) is 1-(7-methyloct-7-enyl)piperidin-2-one.
What is the SMILES notation for 1-(7-methyloct-7-enyl)piperidin-2-one?
The canonical SMILES for 1-(7-methyloct-7-enyl)piperidin-2-one is C=C(C)CCCCCCN1CCCCC1=O.
What is the InChIKey of 1-(7-methyloct-7-enyl)piperidin-2-one?
The InChIKey is GGDAYZYFDUHCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)9-5-3-4-7-11-15-12-8-6-10-14(15)16/h1,3-12H2,2H3.
What are the key properties of 1-(7-methyloct-7-enyl)piperidin-2-one?
1-(7-methyloct-7-enyl)piperidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloct-7-enyl)piperidin-2-one is sourced from PubChem (CID 130256587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).