2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate

C23H23BrN2O4 — CID 54194189

IUPAC2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate
SMILESO=C(Nc1cccc2occc12)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN2O4/c24-18-6-4-16(5-7-18)22(27)17-8-11-26(12-9-17)13-15-30-23(28)25-20-2-1-3-21-19(20)10-14-29-21/h1-7,10,14,17H,8-9,11-13,15H2,(H,25,28)
InChIKeyPKQATKMZHGVESL-UHFFFAOYSA-N
MW471.35 g/mol
LogP5.34
Rot. Bonds6

About 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate

2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate (PubChem CID 54194189) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate.

Molecular Properties

Compound Name2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate
PubChem CID54194189
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC Name2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate
SMILESO=C(Nc1cccc2occc12)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN2O4/c24-18-6-4-16(5-7-18)22(27)17-8-11-26(12-9-17)13-15-30-23(28)25-20-2-1-3-21-19(20)10-14-29-21/h1-7,10,14,17H,8-9,11-13,15H2,(H,25,28)
InChIKeyPKQATKMZHGVESL-UHFFFAOYSA-N
XLogP5.34
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate 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

3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
CID 67841945
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
CID 54487038
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
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(2,3-dihydro-1H-indol-4-yl)carbamate
CID 54312444
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
CID 54032136
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-quinoxalin-5-ylcarbamate
CID 54072288
3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-5-yl)carbamate
CID 54513018
3-[4-(4-chlorobenzoyl)piperidin-1-yl]propyl N-quinolin-5-ylcarbamate
CID 67841973
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
CID 54110968
3-[4-(4-iodobenzoyl)piperidin-1-yl]propyl N-(1H-indol-7-yl)carbamate
CID 54158887
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate?
The IUPAC name of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate (CID 54194189) is 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate.
What is the SMILES notation for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate?
The canonical SMILES for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate is O=C(Nc1cccc2occc12)OCCN1CCC(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate?
The InChIKey is PKQATKMZHGVESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c24-18-6-4-16(5-7-18)22(27)17-8-11-26(12-9-17)13-15-30-23(28)25-20-2-1-3-21-19(20)10-14-29-21/h1-7,10,14,17H,8-9,11-13,15H2,(H,25,28).
What are the key properties of 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate?
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate has a molecular weight of 471.35 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate is sourced from PubChem (CID 54194189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).