N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 113111729

IUPACN-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O/c1-14-11-15(2)13-18(12-14)22-7-9-23(10-8-22)19(24)21-17-5-3-16(20)4-6-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,24)
InChIKeyNQVHVCMYVIFWCD-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.31
Rot. Bonds2

About N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111729) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111729
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O/c1-14-11-15(2)13-18(12-14)22-7-9-23(10-8-22)19(24)21-17-5-3-16(20)4-6-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,24)
InChIKeyNQVHVCMYVIFWCD-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

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Related Compounds

N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
N-(4-acetamidophenyl)-4-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide
CID 113113323
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
N-(4-chlorophenyl)-4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 110643395
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111729) is N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is NQVHVCMYVIFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-11-15(2)13-18(12-14)22-7-9-23(10-8-22)19(24)21-17-5-3-16(20)4-6-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3,5-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-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).