N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C20H24ClN3O3 — CID 113213456

IUPACN-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,15-5-7-16(21)8-6-15)14-22-19(26)24-11-9-23(10-12-24)18(25)17-4-3-13-27-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyHTKJNJBLAYJPMN-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.38
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 113213456) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID113213456
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,15-5-7-16(21)8-6-15)14-22-19(26)24-11-9-23(10-12-24)18(25)17-4-3-13-27-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyHTKJNJBLAYJPMN-UHFFFAOYSA-N
XLogP3.38
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide 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

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167090
N-[2-(4-bromophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166669
N-[2-(2,4-dichlorophenyl)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108990328
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
CID 113214181
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
CID 48957326
2-(4-chloro-2-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004660
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86874062
N-[(3-chloro-2-methylphenyl)methyl]-4-(furan-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 122563335
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 113213456) is N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is CC(C)(CNC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is HTKJNJBLAYJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-20(2,15-5-7-16(21)8-6-15)14-22-19(26)24-11-9-23(10-12-24)18(25)17-4-3-13-27-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 113213456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).