(E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one

C127H229FN20O11 — CID 165070598

About (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one

(E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one (PubChem CID 165070598) has the molecular formula C127H229FN20O11 and a molecular weight of 2231.36 g/mol. Its IUPAC name is (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one.

Molecular Properties

• Compound Name: (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one
• PubChem CID: 165070598
• Molecular Formula: C127H229FN20O11
• Molecular Weight: 2231.36 g/mol
• Exact Mass: 2229.80
• IUPAC Name: (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one
• SMILES: CC(C)(C)NC(=O)/C=C/CN1CCCC1.CC(C)(C)NC(=O)/C=C/CN1CCCCC1.CC(C)(C)NC(=O)/C=C/CN1CCCCC1.CC(C)C(=O)/C=C/CN1CCCC1.CC(C)C(=O)/C=C/Cn1ccnc1.CC1(F)CCN(C/C=C/C(=O)NC(C)(C)C)C1.CC1CCCN(C/C=C/C(=O)NC(C)(C)C)C1.CC1CCN(C/C=C/C(=O)NC(C)(C)C)C1.CCN1CCN(C/C=C/C(=O)NC(C)(C)C)CC1.COCC1CCCN1C/C=C/C(=O)NC(C)(C)C
• InChI: InChI=1S/C14H27N3O.C14H26N2O2.C14H26N2O.C13H23FN2O.3C13H24N2O.C12H22N2O.C11H19NO.C10H14N2O/c1-5-16-9-11-17(12-10-16)8-6-7-13(18)15-14(2,3)4;1-14(2,3)15-13(17)8-6-10-16-9-5-7-12(16)11-18-4;1-12-7-5-9-16(11-12)10-6-8-13(17)15-14(2,3)4;1-12(2,3)15-11(17)6-5-8-16-9-7-13(4,14)10-16;1-11-7-9-15(10-11)8-5-6-12(16)14-13(2,3)4;2*1-13(2,3)14-12(16)8-7-11-15-9-5-4-6-10-15;1-12(2,3)13-11(15)7-6-10-14-8-4-5-9-14;1-10(2)11(13)6-5-9-12-7-3-4-8-12;1-9(2)10(13)4-3-6-12-7-5-11-8-12/h6-7H,5,8-12H2,1-4H3,(H,15,18);6,8,12H,5,7,9-11H2,1-4H3,(H,15,17);6,8,12H,5,7,9-11H2,1-4H3,(H,15,17);5-6H,7-10H2,1-4H3,(H,15,17);5-6,11H,7-10H2,1-4H3,(H,14,16);2*7-8H,4-6,9-11H2,1-3H3,(H,14,16);6-7H,4-5,8-10H2,1-3H3,(H,13,15);5-6,10H,3-4,7-9H2,1-2H3;3-5,7-9H,6H2,1-2H3/b7-6+;2*8-6+;2*6-5+;2*8-7+;7-6+;6-5+;4-3+
• InChIKey: SRNUPYGDFDAZNA-FVWIHYLCSA-N
• XLogP: 17.51
• TPSA: 326.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.36
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one?

The IUPAC name of (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one (CID 165070598) is (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one.

What is the SMILES notation for (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one?

The canonical SMILES for (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one is CC(C)(C)NC(=O)/C=C/CN1CCCC1.CC(C)(C)NC(=O)/C=C/CN1CCCCC1.CC(C)(C)NC(=O)/C=C/CN1CCCCC1.CC(C)C(=O)/C=C/CN1CCCC1.CC(C)C(=O)/C=C/Cn1ccnc1.CC1(F)CCN(C/C=C/C(=O)NC(C)(C)C)C1.CC1CCCN(C/C=C/C(=O)NC(C)(C)C)C1.CC1CCN(C/C=C/C(=O)NC(C)(C)C)C1.CCN1CCN(C/C=C/C(=O)NC(C)(C)C)CC1.COCC1CCCN1C/C=C/C(=O)NC(C)(C)C.

What is the InChIKey of (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one?

The InChIKey is SRNUPYGDFDAZNA-FVWIHYLCSA-N. The full InChI is InChI=1S/C14H27N3O.C14H26N2O2.C14H26N2O.C13H23FN2O.3C13H24N2O.C12H22N2O.C11H19NO.C10H14N2O/c1-5-16-9-11-17(12-10-16)8-6-7-13(18)15-14(2,3)4;1-14(2,3)15-13(17)8-6-10-16-9-5-7-12(16)11-18-4;1-12-7-5-9-16(11-12)10-6-8-13(17)15-14(2,3)4;1-12(2,3)15-11(17)6-5-8-16-9-7-13(4,14)10-16;1-11-7-9-15(10-11)8-5-6-12(16)14-13(2,3)4;2*1-13(2,3)14-12(16)8-7-11-15-9-5-4-6-10-15;1-12(2,3)13-11(15)7-6-10-14-8-4-5-9-14;1-10(2)11(13)6-5-9-12-7-3-4-8-12;1-9(2)10(13)4-3-6-12-7-5-11-8-12/h6-7H,5,8-12H2,1-4H3,(H,15,18);6,8,12H,5,7,9-11H2,1-4H3,(H,15,17);6,8,12H,5,7,9-11H2,1-4H3,(H,15,17);5-6H,7-10H2,1-4H3,(H,15,17);5-6,11H,7-10H2,1-4H3,(H,14,16);2*7-8H,4-6,9-11H2,1-3H3,(H,14,16);6-7H,4-5,8-10H2,1-3H3,(H,13,15);5-6,10H,3-4,7-9H2,1-2H3;3-5,7-9H,6H2,1-2H3/b7-6+;2*8-6+;2*6-5+;2*8-7+;7-6+;6-5+;4-3+.

What are the key properties of (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one?

(E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one has a molecular weight of 2231.36 g/mol, XLogP of 17.51, 35 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-tert-butyl-4-(4-ethylpiperazin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-fluoro-3-methylpyrrolidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-[2-(methoxymethyl)pyrrolidin-1-yl]but-2-enamide;(E)-N-tert-butyl-4-(3-methylpiperidin-1-yl)but-2-enamide;(E)-N-tert-butyl-4-(3-methylpyrrolidin-1-yl)but-2-enamide;bis((E)-N-tert-butyl-4-piperidin-1-ylbut-2-enamide);(E)-N-tert-butyl-4-pyrrolidin-1-ylbut-2-enamide;(E)-6-imidazol-1-yl-2-methylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one is sourced from PubChem (CID 165070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).