2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide

C25H32ClN3O3 — CID 24995257

IUPAC2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-27-24(30)19-29-16-14-28(15-17-29)13-3-2-4-18-32-23-11-7-21(8-12-23)25(31)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3,(H,27,30)
InChIKeyRZMAIAYLJLPIEG-UHFFFAOYSA-N
MW458.00 g/mol
LogP3.48
Rot. Bonds11

About 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide

2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 24995257) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
PubChem CID24995257
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C25H32ClN3O3/c1-27-24(30)19-29-16-14-28(15-17-29)13-3-2-4-18-32-23-11-7-21(8-12-23)25(31)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3,(H,27,30)
InChIKeyRZMAIAYLJLPIEG-UHFFFAOYSA-N
XLogP3.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.48
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-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206
(4-chlorophenyl)-[4-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pentoxy]phenyl]methanone
CID 24994624
(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
CID 24996200
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[4-[5-[4-(4-chloroanilino)phenoxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24996849
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
2-[4-[5-[4-(4-chlorophenoxy)phenoxy]pentyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 24994317
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide (CID 24995257) is 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is RZMAIAYLJLPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-27-24(30)19-29-16-14-28(15-17-29)13-3-2-4-18-32-23-11-7-21(8-12-23)25(31)20-5-9-22(26)10-6-20/h5-12H,2-4,13-19H2,1H3,(H,27,30).
What are the key properties of 2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[5-[4-(4-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 458.00 g/mol, XLogP of 3.48, 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-chlorobenzoyl)phenoxy]pentyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 24995257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).