N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide

C22H27FN4O3 — CID 42671719

IUPACN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H27FN4O3/c1-30-14-9-24-16-21(28)25-19-5-7-20(8-6-19)26-10-12-27(13-11-26)22(29)17-3-2-4-18(23)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,25,28)
InChIKeySAOXMILOVKOGOG-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.96
Rot. Bonds8

About N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide

N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 42671719) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID42671719
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H27FN4O3/c1-30-14-9-24-16-21(28)25-19-5-7-20(8-6-19)26-10-12-27(13-11-26)22(29)17-3-2-4-18(23)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,25,28)
InChIKeySAOXMILOVKOGOG-UHFFFAOYSA-N
XLogP1.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42676466
2-chloro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 83274142
2-[acetyl(propyl)amino]-N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676505
2-(4-chlorophenyl)sulfanyl-N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 4544621
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
N-benzyl-3-fluoro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]benzamide
CID 42676482
4-fluoro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42676515
2-fluoro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42676497
2-fluoro-N-[2-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propylbenzamide
CID 42676514
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide (CID 42671719) is N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is SAOXMILOVKOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-30-14-9-24-16-21(28)25-19-5-7-20(8-6-19)26-10-12-27(13-11-26)22(29)17-3-2-4-18(23)15-17/h2-8,15,24H,9-14,16H2,1H3,(H,25,28).
What are the key properties of N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide?
N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 414.48 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluorobenzoyl)piperazin-1-yl]phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 42671719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).