N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C21H26ClN3O3 — CID 655944

IUPACN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O3/c1-16(26)23-18-5-7-21(8-6-18)28-15-20(27)14-24-9-11-25(12-10-24)19-4-2-3-17(22)13-19/h2-8,13,20,27H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyMFTIKCLEZCVXSV-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.86
Rot. Bonds7

About N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 655944) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID655944
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H26ClN3O3/c1-16(26)23-18-5-7-21(8-6-18)28-15-20(27)14-24-9-11-25(12-10-24)19-4-2-3-17(22)13-19/h2-8,13,20,27H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyMFTIKCLEZCVXSV-UHFFFAOYSA-N
XLogP2.86
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 655944) is N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is MFTIKCLEZCVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-16(26)23-18-5-7-21(8-6-18)28-15-20(27)14-24-9-11-25(12-10-24)19-4-2-3-17(22)13-19/h2-8,13,20,27H,9-12,14-15H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 403.91 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 655944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).