4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide

C22H25FN4O3 — CID 34795547

IUPAC4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN4O3/c1-24-21(29)15-4-8-18(9-5-15)25-20(28)14-27-12-10-19(11-13-27)26-22(30)16-2-6-17(23)7-3-16/h2-9,19H,10-14H2,1H3,(H,24,29)(H,25,28)(H,26,30)
InChIKeyALVYKBJWTGDEHA-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.02
Rot. Bonds6

About 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide

4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 34795547) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID34795547
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H25FN4O3/c1-24-21(29)15-4-8-18(9-5-15)25-20(28)14-27-12-10-19(11-13-27)26-22(30)16-2-6-17(23)7-3-16/h2-9,19H,10-14H2,1H3,(H,24,29)(H,25,28)(H,26,30)
InChIKeyALVYKBJWTGDEHA-UHFFFAOYSA-N
XLogP2.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
4-[[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]amino]-N-methylbenzamide
CID 55566264
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34792575
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840863
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide (CID 34795547) is 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is ALVYKBJWTGDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-24-21(29)15-4-8-18(9-5-15)25-20(28)14-27-12-10-19(11-13-27)26-22(30)16-2-6-17(23)7-3-16/h2-9,19H,10-14H2,1H3,(H,24,29)(H,25,28)(H,26,30).
What are the key properties of 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide?
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 34795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).