1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C28H29ClFN3O4 — CID 58820160

IUPAC1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC1CC(Cc2ccc(F)cc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)c[nH]c2cc1Cl
InChIInChI=1S/C28H29ClFN3O4/c1-17-12-19(13-18-2-4-20(30)5-3-18)6-7-33(17)27(35)22-14-21-23(16-31-25(21)15-24(22)29)26(34)28(36)32-8-10-37-11-9-32/h2-5,14-17,19,31H,6-13H2,1H3
InChIKeyOGAYPAGTOAVSEK-UHFFFAOYSA-N
MW526.01 g/mol
LogP4.49
Rot. Bonds5

About 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 58820160) has the molecular formula C28H29ClFN3O4 and a molecular weight of 526.01 g/mol. Its IUPAC name is 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID58820160
Molecular FormulaC28H29ClFN3O4
Molecular Weight526.01 g/mol
Exact Mass525.18
IUPAC Name1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC1CC(Cc2ccc(F)cc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)c[nH]c2cc1Cl
InChIInChI=1S/C28H29ClFN3O4/c1-17-12-19(13-18-2-4-20(30)5-3-18)6-7-33(17)27(35)22-14-21-23(16-31-25(21)15-24(22)29)26(34)28(36)32-8-10-37-11-9-32/h2-5,14-17,19,31H,6-13H2,1H3
InChIKeyOGAYPAGTOAVSEK-UHFFFAOYSA-N
XLogP4.49
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.01
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione 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-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 58820160) is 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is CC1CC(Cc2ccc(F)cc2)CCN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)c[nH]c2cc1Cl.
What is the InChIKey of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is OGAYPAGTOAVSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN3O4/c1-17-12-19(13-18-2-4-20(30)5-3-18)6-7-33(17)27(35)22-14-21-23(16-31-25(21)15-24(22)29)26(34)28(36)32-8-10-37-11-9-32/h2-5,14-17,19,31H,6-13H2,1H3.
What are the key properties of 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 526.01 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 58820160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).