4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide

C22H27FN4O3 — CID 24507656

IUPAC4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27FN4O3/c1-25(15-16-30-20-9-7-18(23)8-10-20)17-21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29)
InChIKeyBLFLGKSHXAFZJC-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.51
Rot. Bonds7

About 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 24507656) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID24507656
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H27FN4O3/c1-25(15-16-30-20-9-7-18(23)8-10-20)17-21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29)
InChIKeyBLFLGKSHXAFZJC-UHFFFAOYSA-N
XLogP2.51
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094225
4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094199
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
4-[2-[methyl-[(2-methylphenyl)methyl]amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094017
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
1-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 41405249
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide (CID 24507656) is 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide is CN(CCOc1ccc(F)cc1)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is BLFLGKSHXAFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-25(15-16-30-20-9-7-18(23)8-10-20)17-21(28)26-11-13-27(14-12-26)22(29)24-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,29).
What are the key properties of 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 24507656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).