(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide

C18H24FN3O2 — CID 75535664

IUPAC(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide
SMILESCNC(=O)CN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-20-18(24)13-22-11-9-16(10-12-22)21-17(23)4-2-3-14-5-7-15(19)8-6-14/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,24)(H,21,23)/b3-2+
InChIKeyLBXLGAZHCAOGEH-NSCUHMNNSA-N
MW333.41 g/mol
LogP1.56
Rot. Bonds6

About (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide

(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide (PubChem CID 75535664) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide.

Molecular Properties

Compound Name(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide
PubChem CID75535664
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide
SMILESCNC(=O)CN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-20-18(24)13-22-11-9-16(10-12-22)21-17(23)4-2-3-14-5-7-15(19)8-6-14/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,24)(H,21,23)/b3-2+
InChIKeyLBXLGAZHCAOGEH-NSCUHMNNSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide with MolForge

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Related Compounds

2-(4-fluorophenoxy)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 86930849
propan-2-yl 4-[4-(4-methylphenyl)but-3-enoylamino]piperidine-1-carboxylate
CID 71858738
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
2-[4-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 111991657
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 64617968

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide?
The IUPAC name of (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide (CID 75535664) is (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide.
What is the SMILES notation for (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide?
The canonical SMILES for (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide is CNC(=O)CN1CCC(NC(=O)C/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide?
The InChIKey is LBXLGAZHCAOGEH-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-20-18(24)13-22-11-9-16(10-12-22)21-17(23)4-2-3-14-5-7-15(19)8-6-14/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,24)(H,21,23)/b3-2+.
What are the key properties of (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide?
(E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide has a molecular weight of 333.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]but-3-enamide is sourced from PubChem (CID 75535664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).