2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide

C20H25FN4O3 — CID 166256482

IUPAC2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NC2CC3CCCC32)CC1
InChIInChI=1S/C20H25FN4O3/c21-13-4-5-17(15(11-13)18(22)26)24-6-8-25(9-7-24)20(28)19(27)23-16-10-12-2-1-3-14(12)16/h4-5,11-12,14,16H,1-3,6-10H2,(H2,22,26)(H,23,27)
InChIKeyLIQNZAYQKJZQHE-UHFFFAOYSA-N
MW388.44 g/mol
LogP0.88
Rot. Bonds3

About 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide

2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide (PubChem CID 166256482) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide
PubChem CID166256482
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NC2CC3CCCC32)CC1
InChIInChI=1S/C20H25FN4O3/c21-13-4-5-17(15(11-13)18(22)26)24-6-8-25(9-7-24)20(28)19(27)23-16-10-12-2-1-3-14(12)16/h4-5,11-12,14,16H,1-3,6-10H2,(H2,22,26)(H,23,27)
InChIKeyLIQNZAYQKJZQHE-UHFFFAOYSA-N
XLogP0.88
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
5-fluoro-2-[4-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)piperazin-1-yl]benzamide
CID 166296242
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
5-fluoro-2-[4-[4-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]benzamide
CID 136559252
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
CID 167938020
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63673694
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546
5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
CID 77016942
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide?
The IUPAC name of 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide (CID 166256482) is 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide?
The canonical SMILES for 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1N1CCN(C(=O)C(=O)NC2CC3CCCC32)CC1.
What is the InChIKey of 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide?
The InChIKey is LIQNZAYQKJZQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c21-13-4-5-17(15(11-13)18(22)26)24-6-8-25(9-7-24)20(28)19(27)23-16-10-12-2-1-3-14(12)16/h4-5,11-12,14,16H,1-3,6-10H2,(H2,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide?
2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide has a molecular weight of 388.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-bicyclo[3.2.0]heptanylamino)-2-oxoacetyl]piperazin-1-yl]-5-fluorobenzamide is sourced from PubChem (CID 166256482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).