2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

C14H19FN4O2 — CID 61114166

IUPAC2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H19FN4O2/c1-17-13(20)9-18-4-6-19(7-5-18)14(21)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyZCQGCYQZJOUKHK-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.09
Rot. Bonds3

About 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 61114166) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID61114166
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H19FN4O2/c1-17-13(20)9-18-4-6-19(7-5-18)14(21)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20)
InChIKeyZCQGCYQZJOUKHK-UHFFFAOYSA-N
XLogP-0.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-amino-5-hydroxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 107074633
2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
2-[4-(2-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110835
(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336111
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 61114166) is 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)c2cc(N)ccc2F)CC1.
What is the InChIKey of 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is ZCQGCYQZJOUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-17-13(20)9-18-4-6-19(7-5-18)14(21)11-8-10(16)2-3-12(11)15/h2-3,8H,4-7,9,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 294.33 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 61114166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).