cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone

C19H25NO2 — CID 86913113

IUPACcyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H25NO2/c21-19(17-9-5-2-6-10-17)20-13-11-18(12-14-20)22-15-16-7-3-1-4-8-16/h1-5,7-8,17-18H,6,9-15H2
InChIKeyFQCGSGKAXRBVBJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.55
Rot. Bonds4

About cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 86913113) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID86913113
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namecyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H25NO2/c21-19(17-9-5-2-6-10-17)20-13-11-18(12-14-20)22-15-16-7-3-1-4-8-16/h1-5,7-8,17-18H,6,9-15H2
InChIKeyFQCGSGKAXRBVBJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-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

Related Compounds

4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
(4-benzylsulfonylpiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 121022759
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[(3S)-3,4-dihydro-2H-chromen-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 129367014
1-(4-benzylpiperidin-1-yl)-3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]propan-1-one
CID 45208663
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
benzyl 2-cyclohex-3-en-1-yl-2-oxoacetate
CID 67475982
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone (CID 86913113) is cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is FQCGSGKAXRBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-19(17-9-5-2-6-10-17)20-13-11-18(12-14-20)22-15-16-7-3-1-4-8-16/h1-5,7-8,17-18H,6,9-15H2.
What are the key properties of cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 299.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86913113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).