2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate

C23H24BrN3O3 — CID 54032136

IUPAC2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H24BrN3O3/c24-19-3-1-16(2-4-19)22(28)17-8-11-27(12-9-17)13-14-30-23(29)26-20-5-6-21-18(15-20)7-10-25-21/h1-7,10,15,17,25H,8-9,11-14H2,(H,26,29)
InChIKeyLGITUECSEVEEML-UHFFFAOYSA-N
MW470.37 g/mol
LogP5.07
Rot. Bonds6

About 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate

2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate (PubChem CID 54032136) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate.

Molecular Properties

Compound Name2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
PubChem CID54032136
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC Name2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H24BrN3O3/c24-19-3-1-16(2-4-19)22(28)17-8-11-27(12-9-17)13-14-30-23(29)26-20-5-6-21-18(15-20)7-10-25-21/h1-7,10,15,17,25H,8-9,11-14H2,(H,26,29)
InChIKeyLGITUECSEVEEML-UHFFFAOYSA-N
XLogP5.07
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.37
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate with MolForge

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Related Compounds

3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
CID 54082392
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-quinolin-6-ylcarbamate
CID 54121890
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54554945
3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-5-yl)carbamate
CID 54513018
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54324228
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate
CID 54194189
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1,3-benzothiazol-4-yl)carbamate
CID 54491556
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzoxazol-7-yl)carbamate
CID 54509594
[(2R)-oxiran-2-yl]methyl N-(1H-indol-5-yl)carbamate
CID 57343440
3-[4-(4-iodobenzoyl)piperidin-1-yl]propyl N-(1H-indol-7-yl)carbamate
CID 54158887
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54027243
3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
CID 67841945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate?
The IUPAC name of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate (CID 54032136) is 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate.
What is the SMILES notation for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate?
The canonical SMILES for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate is O=C(Nc1ccc2[nH]ccc2c1)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate?
The InChIKey is LGITUECSEVEEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c24-19-3-1-16(2-4-19)22(28)17-8-11-27(12-9-17)13-14-30-23(29)26-20-5-6-21-18(15-20)7-10-25-21/h1-7,10,15,17,25H,8-9,11-14H2,(H,26,29).
What are the key properties of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate?
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate has a molecular weight of 470.37 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate is sourced from PubChem (CID 54032136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).