4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide

C22H25Cl2N3O4 — CID 38884997

IUPAC4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C22H25Cl2N3O4/c1-30-19-4-3-15(11-20(19)31-2)5-6-25-22(29)27-9-7-26(8-10-27)21(28)16-12-17(23)14-18(24)13-16/h3-4,11-14H,5-10H2,1-2H3,(H,25,29)
InChIKeyIUHDVGUZPFAXLB-UHFFFAOYSA-N
MW466.37 g/mol
LogP3.72
Rot. Bonds6

About 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide

4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 38884997) has the molecular formula C22H25Cl2N3O4 and a molecular weight of 466.37 g/mol. Its IUPAC name is 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID38884997
Molecular FormulaC22H25Cl2N3O4
Molecular Weight466.37 g/mol
Exact Mass465.12
IUPAC Name4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC
InChIInChI=1S/C22H25Cl2N3O4/c1-30-19-4-3-15(11-20(19)31-2)5-6-25-22(29)27-9-7-26(8-10-27)21(28)16-12-17(23)14-18(24)13-16/h3-4,11-14H,5-10H2,1-2H3,(H,25,29)
InChIKeyIUHDVGUZPFAXLB-UHFFFAOYSA-N
XLogP3.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534697
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113109890
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 18144616
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108891805
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide (CID 38884997) is 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide is COc1ccc(CCNC(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1OC.
What is the InChIKey of 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is IUHDVGUZPFAXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4/c1-30-19-4-3-15(11-20(19)31-2)5-6-25-22(29)27-9-7-26(8-10-27)21(28)16-12-17(23)14-18(24)13-16/h3-4,11-14H,5-10H2,1-2H3,(H,25,29).
What are the key properties of 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 38884997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).