N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide

C22H26FN3O4 — CID 70540494

IUPACN-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1OCC(=O)CN1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O4/c1-16(27)24-18-6-7-21(22(13-18)29-2)30-15-20(28)14-25-8-10-26(11-9-25)19-5-3-4-17(23)12-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyGUASOSMQVDQBNX-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.56
Rot. Bonds8

About N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide

N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide (PubChem CID 70540494) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide
PubChem CID70540494
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1OCC(=O)CN1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O4/c1-16(27)24-18-6-7-21(22(13-18)29-2)30-15-20(28)14-25-8-10-26(11-9-25)19-5-3-4-17(23)12-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKeyGUASOSMQVDQBNX-UHFFFAOYSA-N
XLogP2.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]carbamate
CID 12838128
N-[3-methoxy-4-[2-methyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
CID 12806471
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 12838126
N'-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268704
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide (CID 70540494) is N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide is COc1cc(NC(C)=O)ccc1OCC(=O)CN1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide?
The InChIKey is GUASOSMQVDQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-16(27)24-18-6-7-21(22(13-18)29-2)30-15-20(28)14-25-8-10-26(11-9-25)19-5-3-4-17(23)12-19/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide?
N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxopropoxy]-3-methoxyphenyl]acetamide is sourced from PubChem (CID 70540494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).