4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide

C21H24Cl3N3O — CID 25169096

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide
SMILESO=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl3N3O/c22-17-5-3-16(4-6-17)15-27-12-10-26(11-13-27)9-1-2-21(28)25-20-8-7-18(23)14-19(20)24/h3-8,14H,1-2,9-13,15H2,(H,25,28)
InChIKeyNZZDOTMFWBRWNC-UHFFFAOYSA-N
MW440.80 g/mol
LogP5.18
Rot. Bonds7

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide (PubChem CID 25169096) has the molecular formula C21H24Cl3N3O and a molecular weight of 440.80 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide
PubChem CID25169096
Molecular FormulaC21H24Cl3N3O
Molecular Weight440.80 g/mol
Exact Mass439.10
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide
SMILESO=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H24Cl3N3O/c22-17-5-3-16(4-6-17)15-27-12-10-26(11-13-27)9-1-2-21(28)25-20-8-7-18(23)14-19(20)24/h3-8,14H,1-2,9-13,15H2,(H,25,28)
InChIKeyNZZDOTMFWBRWNC-UHFFFAOYSA-N
XLogP5.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide (CID 25169096) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide is O=C(CCCN1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide?
The InChIKey is NZZDOTMFWBRWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl3N3O/c22-17-5-3-16(4-6-17)15-27-12-10-26(11-13-27)9-1-2-21(28)25-20-8-7-18(23)14-19(20)24/h3-8,14H,1-2,9-13,15H2,(H,25,28).
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide has a molecular weight of 440.80 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,4-dichlorophenyl)butanamide is sourced from PubChem (CID 25169096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).