4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

C28H31Cl2N3O — CID 164916972

IUPAC4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31Cl2N3O/c1-31(2)27(34)28(22-10-5-3-6-11-22,23-12-7-4-8-13-23)16-17-32-18-20-33(21-19-32)25-15-9-14-24(29)26(25)30/h3-15H,16-21H2,1-2H3
InChIKeyGCEDZTWELCPACO-UHFFFAOYSA-N
MW496.48 g/mol
LogP5.58
Rot. Bonds7

About 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 164916972) has the molecular formula C28H31Cl2N3O and a molecular weight of 496.48 g/mol. Its IUPAC name is 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
PubChem CID164916972
Molecular FormulaC28H31Cl2N3O
Molecular Weight496.48 g/mol
Exact Mass495.18
IUPAC Name4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31Cl2N3O/c1-31(2)27(34)28(22-10-5-3-6-11-22,23-12-7-4-8-13-23)16-17-32-18-20-33(21-19-32)25-15-9-14-24(29)26(25)30/h3-15H,16-21H2,1-2H3
InChIKeyGCEDZTWELCPACO-UHFFFAOYSA-N
XLogP5.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The IUPAC name of 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (CID 164916972) is 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.
What is the SMILES notation for 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The canonical SMILES for 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is CN(C)C(=O)C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is GCEDZTWELCPACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O/c1-31(2)27(34)28(22-10-5-3-6-11-22,23-12-7-4-8-13-23)16-17-32-18-20-33(21-19-32)25-15-9-14-24(29)26(25)30/h3-15H,16-21H2,1-2H3.
What are the key properties of 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 496.48 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 164916972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).