N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride

C18H19Cl4N5O — CID 137028391

IUPACN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.N/C(=N\c1ccc(Cl)cc1)NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl3N5O.ClH/c19-12-1-3-15(4-2-12)23-17(22)24-18(27)26-7-5-25(6-8-26)16-10-13(20)9-14(21)11-16;/h1-4,9-11H,5-8H2,(H3,22,23,24,27);1H
InChIKeyZWPMUROJACVYPG-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.55
Rot. Bonds2

About N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride

N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 137028391) has the molecular formula C18H19Cl4N5O and a molecular weight of 463.20 g/mol. Its IUPAC name is N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride
PubChem CID137028391
Molecular FormulaC18H19Cl4N5O
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC NameN-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.N/C(=N\c1ccc(Cl)cc1)NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl3N5O.ClH/c19-12-1-3-15(4-2-12)23-17(22)24-18(27)26-7-5-25(6-8-26)16-10-13(20)9-14(21)11-16;/h1-4,9-11H,5-8H2,(H3,22,23,24,27);1H
InChIKeyZWPMUROJACVYPG-UHFFFAOYSA-N
XLogP4.55
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(4-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 137028397
4-(4-chlorophenyl)-N-(3-chloropropanoyl)piperazine-1-carboxamide
CID 43328946
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
(4-chlorophenyl)-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68513632
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
N-(4-chlorobenzoyl)pyrrolidine-1-carboxamide
CID 6457135
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]guanidine
CID 110917770
N-[(4-chlorophenyl)methylideneamino]-4-phenylpiperazine-1-carboxamide
CID 132770474
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride (CID 137028391) is N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride is Cl.N/C(=N\c1ccc(Cl)cc1)NC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is ZWPMUROJACVYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O.ClH/c19-12-1-3-15(4-2-12)23-17(22)24-18(27)26-7-5-25(6-8-26)16-10-13(20)9-14(21)11-16;/h1-4,9-11H,5-8H2,(H3,22,23,24,27);1H.
What are the key properties of N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride?
N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 463.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-chlorophenyl)carbamimidoyl]-4-(3,5-dichlorophenyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 137028391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).