N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide

C21H26ClN3O2 — CID 91937743

IUPACN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-17(26)23-19-6-8-21(9-7-19)27-15-3-10-24-11-13-25(14-12-24)20-5-2-4-18(22)16-20/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
InChIKeyNHVOXKHYFWMDMX-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide

N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide (PubChem CID 91937743) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
PubChem CID91937743
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCCN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-17(26)23-19-6-8-21(9-7-19)27-15-3-10-24-11-13-25(14-12-24)20-5-2-4-18(22)16-20/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
InChIKeyNHVOXKHYFWMDMX-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.89
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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Related Compounds

CID 55421
CID 55421
CID 24749950
CID 24749950
CID 567615
CID 567615
CID 3033717
CID 3033717
CID 975074
CID 975074
CID 2940986
CID 2940986
CID 13799749
CID 13799749
CID 71625710
CID 71625710
CID 71625711
CID 71625711
CID 71625712
CID 71625712
CID 2440804
CID 2440804
CID 2655390
CID 2655390

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide (CID 91937743) is N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCCN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
The InChIKey is NHVOXKHYFWMDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-17(26)23-19-6-8-21(9-7-19)27-15-3-10-24-11-13-25(14-12-24)20-5-2-4-18(22)16-20/h2,4-9,16H,3,10-15H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide?
N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide is sourced from PubChem (CID 91937743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).