(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone

C16H25NO — CID 126544643

IUPAC(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone
SMILESCC1C=C2CCCC(C(=O)N3CCCCC3)(C2)C1
InChIInChI=1S/C16H25NO/c1-13-10-14-6-5-7-16(11-13,12-14)15(18)17-8-3-2-4-9-17/h10,13H,2-9,11-12H2,1H3
InChIKeyLCXHVGDFTLRUPJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.53
Rot. Bonds1

About (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone

(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone (PubChem CID 126544643) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone
PubChem CID126544643
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone
SMILESCC1C=C2CCCC(C(=O)N3CCCCC3)(C2)C1
InChIInChI=1S/C16H25NO/c1-13-10-14-6-5-7-16(11-13,12-14)15(18)17-8-3-2-4-9-17/h10,13H,2-9,11-12H2,1H3
InChIKeyLCXHVGDFTLRUPJ-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone (CID 126544643) is (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone is CC1C=C2CCCC(C(=O)N3CCCCC3)(C2)C1.
What is the InChIKey of (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone?
The InChIKey is LCXHVGDFTLRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-10-14-6-5-7-16(11-13,12-14)15(18)17-8-3-2-4-9-17/h10,13H,2-9,11-12H2,1H3.
What are the key properties of (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone?
(3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone has a molecular weight of 247.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-bicyclo[3.3.1]non-4-enyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 126544643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).