CID 16682210

C29H23FN2O6 — CID 16682210

IUPAC—
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(c2ccccc2)=NO1
InChIInChI=1S/C29H23FN2O6/c30-20-7-9-23-21(15-20)26(33)29(16-22(31-38-29)18-4-2-1-3-5-18)28(37-23)10-12-32(13-11-28)27(34)19-6-8-24-25(14-19)36-17-35-24/h1-9,14-15H,10-13,16-17H2
InChIKeyTZVFUFRCUOACND-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.37
Rot. Bonds2

About CID 16682210

CID 16682210 (PubChem CID 16682210) has the molecular formula C29H23FN2O6 and a molecular weight of 514.51 g/mol.

Molecular Properties

Compound NameCID 16682210
PubChem CID16682210
Molecular FormulaC29H23FN2O6
Molecular Weight514.51 g/mol
Exact Mass514.15
IUPAC Name—
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(c2ccccc2)=NO1
InChIInChI=1S/C29H23FN2O6/c30-20-7-9-23-21(15-20)26(33)29(16-22(31-38-29)18-4-2-1-3-5-18)28(37-23)10-12-32(13-11-28)27(34)19-6-8-24-25(14-19)36-17-35-24/h1-9,14-15H,10-13,16-17H2
InChIKeyTZVFUFRCUOACND-UHFFFAOYSA-N
XLogP4.37
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze CID 16682210 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

CID 16746069
CID 16746069
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1,3-benzodioxol-5-yl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134795239
1-(1,3-benzodioxole-5-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433235
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
1'-(1,3-benzodioxole-5-carbonyl)-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760343
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1'-(1,3-benzodioxole-5-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169385
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083

Frequently Asked Questions

What is the IUPAC name of CID 16682210?
The IUPAC name of CID 16682210 (CID 16682210) is not available.
What is the SMILES notation for CID 16682210?
The canonical SMILES for CID 16682210 is O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)C21CC(c2ccccc2)=NO1.
What is the InChIKey of CID 16682210?
The InChIKey is TZVFUFRCUOACND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O6/c30-20-7-9-23-21(15-20)26(33)29(16-22(31-38-29)18-4-2-1-3-5-18)28(37-23)10-12-32(13-11-28)27(34)19-6-8-24-25(14-19)36-17-35-24/h1-9,14-15H,10-13,16-17H2.
What are the key properties of CID 16682210?
CID 16682210 has a molecular weight of 514.51 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16682210 is sourced from PubChem (CID 16682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).