N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H20BrN3O4 — CID 60590217

IUPACN-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20BrN3O4/c1-12-10-13(19)11-15(25-2)16(12)20-18(24)22-7-5-21(6-8-22)17(23)14-4-3-9-26-14/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)
InChIKeyHKMDSHVMFKWRCW-UHFFFAOYSA-N
MW422.28 g/mol
LogP3.35
Rot. Bonds3

About N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 60590217) has the molecular formula C18H20BrN3O4 and a molecular weight of 422.28 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID60590217
Molecular FormulaC18H20BrN3O4
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC NameN-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H20BrN3O4/c1-12-10-13(19)11-15(25-2)16(12)20-18(24)22-7-5-21(6-8-22)17(23)14-4-3-9-26-14/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)
InChIKeyHKMDSHVMFKWRCW-UHFFFAOYSA-N
XLogP3.35
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990335
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465
1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 110801925
[4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133373359
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
9-(furan-2-carbonyl)-N-(4-methoxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234137
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911866

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 60590217) is N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is COc1cc(Br)cc(C)c1NC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is HKMDSHVMFKWRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O4/c1-12-10-13(19)11-15(25-2)16(12)20-18(24)22-7-5-21(6-8-22)17(23)14-4-3-9-26-14/h3-4,9-11H,5-8H2,1-2H3,(H,20,24).
What are the key properties of N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60590217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).