N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide

C23H29Cl2N3O — CID 162648066

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide
SMILESCCCN(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H29Cl2N3O/c1-2-12-28(23(29)19-8-4-3-5-9-19)14-7-13-26-15-17-27(18-16-26)21-11-6-10-20(24)22(21)25/h3-6,8-11H,2,7,12-18H2,1H3
InChIKeyPMLMARMRSAEQFX-UHFFFAOYSA-N
MW434.41 g/mol
LogP5.06
Rot. Bonds8

About N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide (PubChem CID 162648066) has the molecular formula C23H29Cl2N3O and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide
PubChem CID162648066
Molecular FormulaC23H29Cl2N3O
Molecular Weight434.41 g/mol
Exact Mass433.17
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide
SMILESCCCN(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1
InChIInChI=1S/C23H29Cl2N3O/c1-2-12-28(23(29)19-8-4-3-5-9-19)14-7-13-26-15-17-27(18-16-26)21-11-6-10-20(24)22(21)25/h3-6,8-11H,2,7,12-18H2,1H3
InChIKeyPMLMARMRSAEQFX-UHFFFAOYSA-N
XLogP5.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide (CID 162648066) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide is CCCN(CCCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
The InChIKey is PMLMARMRSAEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O/c1-2-12-28(23(29)19-8-4-3-5-9-19)14-7-13-26-15-17-27(18-16-26)21-11-6-10-20(24)22(21)25/h3-6,8-11H,2,7,12-18H2,1H3.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide has a molecular weight of 434.41 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-propylbenzamide is sourced from PubChem (CID 162648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).