N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C18H20ClN3O3 — CID 108990335

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-12-10-13(2)16(14(19)11-12)20-18(24)22-7-5-21(6-8-22)17(23)15-4-3-9-25-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)
InChIKeyCYOUIMCIOPQCCL-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.54
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 108990335) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID108990335
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3/c1-12-10-13(2)16(14(19)11-12)20-18(24)22-7-5-21(6-8-22)17(23)15-4-3-9-25-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)
InChIKeyCYOUIMCIOPQCCL-UHFFFAOYSA-N
XLogP3.54
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methoxy-6-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60590217
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperazine-1-carboxamide
CID 108988438
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109121
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
N-(2-chloro-4,6-dimethylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 113104629
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 108990335) is N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is CYOUIMCIOPQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-10-13(2)16(14(19)11-12)20-18(24)22-7-5-21(6-8-22)17(23)15-4-3-9-25-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 108990335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).