N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

C18H19Cl2N3O — CID 3236712

IUPACN-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyIHYCDHOEPBVEQK-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.03
Rot. Bonds3

About N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide

N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 3236712) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID3236712
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC NameN-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyIHYCDHOEPBVEQK-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 3236712) is N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is IHYCDHOEPBVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3236712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).