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

C18H19Cl2N3O2 — CID 3686318

IUPAC4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-17-5-3-2-4-16(17)21-18(24)23-10-8-22(9-11-23)13-6-7-14(19)15(20)12-13/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyOJSLAOBJYPYLFR-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.36
Rot. Bonds3

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

4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 3686318) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID3686318
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-25-17-5-3-2-4-16(17)21-18(24)23-10-8-22(9-11-23)13-6-7-14(19)15(20)12-13/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyOJSLAOBJYPYLFR-UHFFFAOYSA-N
XLogP4.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113405
4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 2956761
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
methyl 3-[4-[(2-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113513
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
4-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111468
butyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995979
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 3686318) is 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OJSLAOBJYPYLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-25-17-5-3-2-4-16(17)21-18(24)23-10-8-22(9-11-23)13-6-7-14(19)15(20)12-13/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3686318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).