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

C21H26ClN3O3 — CID 2962065

IUPACN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O3/c1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h2-9,20,27H,10-15H2,1H3,(H,23,26)
InChIKeyRCOXYMZPDULJST-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.86
Rot. Bonds7

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

N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 2962065) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID2962065
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O3/c1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h2-9,20,27H,10-15H2,1H3,(H,23,26)
InChIKeyRCOXYMZPDULJST-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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Related Compounds

Practolol
CID 4883
Practolol, (S)-
CID 443371
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
2-(4-chlorophenoxy)-N-(2-morpholinophenyl)propionamide
CID 16321487
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294
2-(4-{[(4-Chlorophenyl)carbamoyl]methyl}piperazin-1-YL)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 3243802
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 4286043
1-(4-Chlorophenyl)-3-(4-(3-morpholinopropoxy)phenyl)urea
CID 25014775
(s)-1-(4-(3-(4-(4-Chlorophenyl)piperazin-1-yl)-2-hydroxypropoxy)phenyl)urea
CID 25113672
1-(4-Chlorophenyl)-4-(3-phenoxypropyl)piperazine
CID 57396571

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 2962065) is N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is RCOXYMZPDULJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h2-9,20,27H,10-15H2,1H3,(H,23,26).
What are the key properties of N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 2962065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).