N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

C27H26FN3O3 — CID 34791543

IUPACN-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-21-12-10-20(11-13-21)27(34)29-22-14-16-31(17-15-22)18-25(32)30-24-9-5-4-8-23(24)26(33)19-6-2-1-3-7-19/h1-13,22H,14-18H2,(H,29,34)(H,30,32)
InChIKeyBSXOWGFYIUEYAQ-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.89
Rot. Bonds7

About N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 34791543) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID34791543
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC NameN-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C27H26FN3O3/c28-21-12-10-20(11-13-21)27(34)29-22-14-16-31(17-15-22)18-25(32)30-24-9-5-4-8-23(24)26(33)19-6-2-1-3-7-19/h1-13,22H,14-18H2,(H,29,34)(H,30,32)
InChIKeyBSXOWGFYIUEYAQ-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
N-(2-benzoylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 55682168
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide
CID 59764355
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
N-(2-benzoylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27224348

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (CID 34791543) is N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is O=C(CN1CCC(NC(=O)c2ccc(F)cc2)CC1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is BSXOWGFYIUEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c28-21-12-10-20(11-13-21)27(34)29-22-14-16-31(17-15-22)18-25(32)30-24-9-5-4-8-23(24)26(33)19-6-2-1-3-7-19/h1-13,22H,14-18H2,(H,29,34)(H,30,32).
What are the key properties of N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 459.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 34791543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).