1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C29H31F3N4O2 — CID 11562714

IUPAC1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12
InChIInChI=1S/C29H31F3N4O2/c1-20(2)35-17-15-28(16-18-35)19-36(25-9-5-3-7-23(25)28)26-10-6-4-8-24(26)34-27(37)33-21-11-13-22(14-12-21)38-29(30,31)32/h3-14,20H,15-19H2,1-2H3,(H2,33,34,37)
InChIKeyORQPOUPGRVZEJP-UHFFFAOYSA-N
MW524.59 g/mol
LogP7.12
Rot. Bonds5

About 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11562714) has the molecular formula C29H31F3N4O2 and a molecular weight of 524.59 g/mol. Its IUPAC name is 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11562714
Molecular FormulaC29H31F3N4O2
Molecular Weight524.59 g/mol
Exact Mass524.24
IUPAC Name1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(C)N1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12
InChIInChI=1S/C29H31F3N4O2/c1-20(2)35-17-15-28(16-18-35)19-36(25-9-5-3-7-23(25)28)26-10-6-4-8-24(26)34-27(37)33-21-11-13-22(14-12-21)38-29(30,31)32/h3-14,20H,15-19H2,1-2H3,(H2,33,34,37)
InChIKeyORQPOUPGRVZEJP-UHFFFAOYSA-N
XLogP7.12
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea 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-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 11562714) is 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is CC(C)N1CCC2(CC1)CN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc12.
What is the InChIKey of 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is ORQPOUPGRVZEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O2/c1-20(2)35-17-15-28(16-18-35)19-36(25-9-5-3-7-23(25)28)26-10-6-4-8-24(26)34-27(37)33-21-11-13-22(14-12-21)38-29(30,31)32/h3-14,20H,15-19H2,1-2H3,(H2,33,34,37).
What are the key properties of 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 524.59 g/mol, XLogP of 7.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1'-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11562714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).