N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 113111612

IUPACN-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1C
InChIInChI=1S/C19H22ClN3O/c1-14-6-7-18(12-15(14)2)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyZZBNXHCRURGHPY-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.31
Rot. Bonds2

About N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111612) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111612
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1C
InChIInChI=1S/C19H22ClN3O/c1-14-6-7-18(12-15(14)2)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyZZBNXHCRURGHPY-UHFFFAOYSA-N
XLogP4.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110414498
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
CID 110361358

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide (CID 113111612) is N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1C.
What is the InChIKey of N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is ZZBNXHCRURGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-6-7-18(12-15(14)2)22-8-10-23(11-9-22)19(24)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).