N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

C16H15Cl2N3O3 — CID 1129472

IUPACN-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-4-3-11(10-13(12)18)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyCUXTZZNDENTSKN-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.58
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 1129472) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID1129472
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-4-3-11(10-13(12)18)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyCUXTZZNDENTSKN-UHFFFAOYSA-N
XLogP3.58
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 1129472) is N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is CUXTZZNDENTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-12-4-3-11(10-13(12)18)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 368.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 1129472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).