tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate

C24H26FN3O3 — CID 135285743

IUPACtert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c1-24(2,3)31-23(30)28-12-10-27(11-13-28)22(29)17-6-4-16(5-7-17)20-15-26-21-14-18(25)8-9-19(20)21/h4-9,14-15,26H,10-13H2,1-3H3
InChIKeyANSAYPPEEYVUIR-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.67
Rot. Bonds2

About tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate

tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 135285743) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate
PubChem CID135285743
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Nametert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c1-24(2,3)31-23(30)28-12-10-27(11-13-28)22(29)17-6-4-16(5-7-17)20-15-26-21-14-18(25)8-9-19(20)21/h4-9,14-15,26H,10-13H2,1-3H3
InChIKeyANSAYPPEEYVUIR-UHFFFAOYSA-N
XLogP4.67
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
tert-butyl 4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763
tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)-1,1-dihydroxy-3-methyl-3H-1,2-benzothiazol-2-yl]propanoyl]piperazine-1-carboxylate
CID 122529467
tert-butyl (3R,4R)-4-(6-fluoro-1H-indol-3-yl)-3-hydroxypiperidine-1-carboxylate
CID 10544697
tert-butyl 4-[4-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazine-1-carboxylate
CID 58716598
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
tert-butyl 4-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 41470918
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
tert-butyl 6-[2-[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]ethyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 118382503
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 23655675
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]benzenesulfonic acid
CID 171488527
tert-butyl 4-[4-[3-[(2-fluorophenyl)carbamoyl]-5-hydroxyphenyl]benzoyl]piperazine-1-carboxylate
CID 164524456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate (CID 135285743) is tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3c[nH]c4cc(F)ccc34)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is ANSAYPPEEYVUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-24(2,3)31-23(30)28-12-10-27(11-13-28)22(29)17-6-4-16(5-7-17)20-15-26-21-14-18(25)8-9-19(20)21/h4-9,14-15,26H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate?
tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 423.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(6-fluoro-1H-indol-3-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 135285743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).