N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

C19H21Cl2N3O — CID 17171501

IUPACN-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21Cl2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyZXKLDKDVDPAWDP-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.96
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 17171501) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID17171501
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21Cl2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyZXKLDKDVDPAWDP-UHFFFAOYSA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
4-(2,5-dimethylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3671524
ethyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995038
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
4-(5-chloro-2-methylphenyl)-N-(3,4-dichlorophenyl)piperazine-1-carbothioamide
CID 19655017
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 17171501) is N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is ZXKLDKDVDPAWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 17171501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).