tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate

C19H24ClFN2O2 — CID 67536183

IUPACtert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(Cl)ccc(F)c12
InChIInChI=1S/C19H24ClFN2O2/c1-11-15-14(21)8-7-13(20)17(15)22-16(11)12-6-5-9-23(10-12)18(24)25-19(2,3)4/h7-8,12,22H,5-6,9-10H2,1-4H3
InChIKeyWTDHIUFOAUOALS-UHFFFAOYSA-N
MW366.86 g/mol
LogP5.38
Rot. Bonds1

About tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate

tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate (PubChem CID 67536183) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate
PubChem CID67536183
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Nametert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate
SMILESCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(Cl)ccc(F)c12
InChIInChI=1S/C19H24ClFN2O2/c1-11-15-14(21)8-7-13(20)17(15)22-16(11)12-6-5-9-23(10-12)18(24)25-19(2,3)4/h7-8,12,22H,5-6,9-10H2,1-4H3
InChIKeyWTDHIUFOAUOALS-UHFFFAOYSA-N
XLogP5.38
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.86
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate 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

7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
CID 10640055
1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone
CID 29133832
US11142526, Example 110
CID 137532995
US11142526, Example 48
CID 137533061
US11142526, Example 224
CID 137533215
1-[(1R)-6-chloro-7-fluoro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 171034421
Ethyl 6-chloro-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11234128
Ethyl 6-chloro-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 11486060
Ethyl 6-chloro-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888013
Ethyl 6-chloro-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888151
Ethyl 1-benzyl-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888164
Ethyl 6-chloro-1-(3-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 57888344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate (CID 67536183) is tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate is Cc1c(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(Cl)ccc(F)c12.
What is the InChIKey of tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate?
The InChIKey is WTDHIUFOAUOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c1-11-15-14(21)8-7-13(20)17(15)22-16(11)12-6-5-9-23(10-12)18(24)25-19(2,3)4/h7-8,12,22H,5-6,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate has a molecular weight of 366.86 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-chloro-4-fluoro-3-methyl-1H-indol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67536183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).