2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide

C25H35ClN4O2 — CID 24996849

IUPAC2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc(Nc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H35ClN4O2/c1-28(2)25(31)20-30-17-15-29(16-18-30)14-4-3-5-19-32-24-12-10-23(11-13-24)27-22-8-6-21(26)7-9-22/h6-13,27H,3-5,14-20H2,1-2H3
InChIKeyMWYKAYLNHPZHNV-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.34
Rot. Bonds11

About 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 24996849) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID24996849
Molecular FormulaC25H35ClN4O2
Molecular Weight459.03 g/mol
Exact Mass458.24
IUPAC Name2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CCCCCOc2ccc(Nc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H35ClN4O2/c1-28(2)25(31)20-30-17-15-29(16-18-30)14-4-3-5-19-32-24-12-10-23(11-13-24)27-22-8-6-21(26)7-9-22/h6-13,27H,3-5,14-20H2,1-2H3
InChIKeyMWYKAYLNHPZHNV-UHFFFAOYSA-N
XLogP4.34
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24995255
2-[4-[5-(4-formylphenoxy)pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 87732200
2-[4-[6-[1-(4-chlorophenyl)indol-5-yl]oxyhexyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25007091
2-[4-[5-[1-(4-chlorophenyl)benzotriazol-5-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25006326
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25066896
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 69190292
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
CID 24995257
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 24996849) is 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CCCCCOc2ccc(Nc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is MWYKAYLNHPZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O2/c1-28(2)25(31)20-30-17-15-29(16-18-30)14-4-3-5-19-32-24-12-10-23(11-13-24)27-22-8-6-21(26)7-9-22/h6-13,27H,3-5,14-20H2,1-2H3.
What are the key properties of 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 459.03 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 24996849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).