4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide

C23H33FN4O3 — CID 86891199

IUPAC4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(C(=O)N1CCCCC1)N1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33FN4O3/c1-18(23(31)28-12-3-2-4-13-28)26-14-16-27(17-15-26)21(29)6-5-11-25-22(30)19-7-9-20(24)10-8-19/h7-10,18H,2-6,11-17H2,1H3,(H,25,30)
InChIKeyWCJIMCQQAMUICS-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.88
Rot. Bonds7

About 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide

4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide (PubChem CID 86891199) has the molecular formula C23H33FN4O3 and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
PubChem CID86891199
Molecular FormulaC23H33FN4O3
Molecular Weight432.54 g/mol
Exact Mass432.25
IUPAC Name4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
SMILESCC(C(=O)N1CCCCC1)N1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H33FN4O3/c1-18(23(31)28-12-3-2-4-13-28)26-14-16-27(17-15-26)21(29)6-5-11-25-22(30)19-7-9-20(24)10-8-19/h7-10,18H,2-6,11-17H2,1H3,(H,25,30)
InChIKeyWCJIMCQQAMUICS-UHFFFAOYSA-N
XLogP1.88
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
CID 119898937
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119517736
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
N-[4-[3-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119593706
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide (CID 86891199) is 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide is CC(C(=O)N1CCCCC1)N1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide?
The InChIKey is WCJIMCQQAMUICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O3/c1-18(23(31)28-12-3-2-4-13-28)26-14-16-27(17-15-26)21(29)6-5-11-25-22(30)19-7-9-20(24)10-8-19/h7-10,18H,2-6,11-17H2,1H3,(H,25,30).
What are the key properties of 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide?
4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 86891199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).