N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H20BrN3O3 — CID 48964145

IUPACN-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1Br)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20BrN3O3/c19-15-5-2-1-4-14(15)7-8-20-18(24)22-11-9-21(10-12-22)17(23)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24)
InChIKeyXIXYNXJJBOOWKR-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 48964145) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID48964145
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC NameN-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1Br)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20BrN3O3/c19-15-5-2-1-4-14(15)7-8-20-18(24)22-11-9-21(10-12-22)17(23)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24)
InChIKeyXIXYNXJJBOOWKR-UHFFFAOYSA-N
XLogP2.75
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108900519
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
N-[2-(2-fluorophenyl)ethyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109024662
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
N-[(3-chloro-2-methylphenyl)methyl]-4-(furan-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 122563335
N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166423
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 166190253

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 48964145) is N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1Br)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is XIXYNXJJBOOWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c19-15-5-2-1-4-14(15)7-8-20-18(24)22-11-9-21(10-12-22)17(23)16-6-3-13-25-16/h1-6,13H,7-12H2,(H,20,24).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 48964145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).