2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide

C25H33ClN6O2 — CID 25006326

IUPAC2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H33ClN6O2/c1-29(2)25(33)19-31-15-13-30(14-16-31)12-4-3-5-17-34-22-10-11-24-23(18-22)27-28-32(24)21-8-6-20(26)7-9-21/h6-11,18H,3-5,12-17,19H2,1-2H3
InChIKeyZNHFKKZPYKJHFV-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.33
Rot. Bonds10

About 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 25006326) has the molecular formula C25H33ClN6O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID25006326
Molecular FormulaC25H33ClN6O2
Molecular Weight485.03 g/mol
Exact Mass484.24
IUPAC Name2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H33ClN6O2/c1-29(2)25(33)19-31-15-13-30(14-16-31)12-4-3-5-17-34-22-10-11-24-23(18-22)27-28-32(24)21-8-6-20(26)7-9-21/h6-11,18H,3-5,12-17,19H2,1-2H3
InChIKeyZNHFKKZPYKJHFV-UHFFFAOYSA-N
XLogP3.33
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25007091
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24995255
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25066896
2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 69190292
2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87732200
2-[4-[5-[1-(4-chlorophenyl)indol-5-yl]oxypentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25005599
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
CID 24995257
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
CID 24996200
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 25006326) is 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is ZNHFKKZPYKJHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O2/c1-29(2)25(33)19-31-15-13-30(14-16-31)12-4-3-5-17-34-22-10-11-24-23(18-22)27-28-32(24)21-8-6-20(26)7-9-21/h6-11,18H,3-5,12-17,19H2,1-2H3.
What are the key properties of 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 485.03 g/mol, XLogP of 3.33, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 25006326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).