7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone

C17H29NO — CID 86817042

IUPAC7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C17H29NO/c1-3-17(4-2)9-11-18(12-10-17)16(19)15-13-7-5-6-8-14(13)15/h13-15H,3-12H2,1-2H3
InChIKeyUMTHSTYIUOFXTC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.85
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone

7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 86817042) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID86817042
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2C3CCCCC32)CC1
InChIInChI=1S/C17H29NO/c1-3-17(4-2)9-11-18(12-10-17)16(19)15-13-7-5-6-8-14(13)15/h13-15H,3-12H2,1-2H3
InChIKeyUMTHSTYIUOFXTC-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone 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 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone (CID 86817042) is 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)C2C3CCCCC32)CC1.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is UMTHSTYIUOFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-17(4-2)9-11-18(12-10-17)16(19)15-13-7-5-6-8-14(13)15/h13-15H,3-12H2,1-2H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 263.42 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 86817042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).