N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide

C26H28Cl2N4O — CID 11443078

IUPACN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33)
InChIKeySRHQZJRKCSXSCP-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.39
Rot. Bonds8

About N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide

N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide (PubChem CID 11443078) has the molecular formula C26H28Cl2N4O and a molecular weight of 483.44 g/mol. Its IUPAC name is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide
PubChem CID11443078
Molecular FormulaC26H28Cl2N4O
Molecular Weight483.44 g/mol
Exact Mass482.16
IUPAC NameN-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33)
InChIKeySRHQZJRKCSXSCP-UHFFFAOYSA-N
XLogP5.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide (CID 11443078) is N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide?
The InChIKey is SRHQZJRKCSXSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O/c27-23-6-3-7-24(25(23)28)32-17-15-31(16-18-32)14-2-1-13-30-26(33)21-10-8-20(9-11-21)22-5-4-12-29-19-22/h3-12,19H,1-2,13-18H2,(H,30,33).
What are the key properties of N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide?
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide has a molecular weight of 483.44 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 11443078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).