4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide

C19H21Cl2N3O2 — CID 4286043

IUPAC4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyKBCQNQZNOXAVST-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.75
Rot. Bonds4

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

4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (PubChem CID 4286043) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
PubChem CID4286043
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25)
InChIKeyKBCQNQZNOXAVST-UHFFFAOYSA-N
XLogP4.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide (CID 4286043) is 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KBCQNQZNOXAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-2-26-16-6-3-14(4-7-16)22-19(25)24-11-9-23(10-12-24)15-5-8-17(20)18(21)13-15/h3-8,13H,2,9-12H2,1H3,(H,22,25).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.75, 4 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-(4-ethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4286043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).