(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide

C24H33N5O3 — CID 143172514

IUPAC(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide
SMILESC=C(/N=C\C(=C/C)C(=O)NO)N1CCC(CNCc2cn(C)c3ccc(OC)cc23)CC1
InChIInChI=1S/C24H33N5O3/c1-5-19(24(30)27-31)15-26-17(2)29-10-8-18(9-11-29)13-25-14-20-16-28(3)23-7-6-21(32-4)12-22(20)23/h5-7,12,15-16,18,25,31H,2,8-11,13-14H2,1,3-4H3,(H,27,30)/b19-5+,26-15-
InChIKeyMHMFDIUJDNSPKC-AFRKLOQNSA-N
MW439.56 g/mol
LogP2.98
Rot. Bonds9

About (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide

(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide (PubChem CID 143172514) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide
PubChem CID143172514
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide
SMILESC=C(/N=C\C(=C/C)C(=O)NO)N1CCC(CNCc2cn(C)c3ccc(OC)cc23)CC1
InChIInChI=1S/C24H33N5O3/c1-5-19(24(30)27-31)15-26-17(2)29-10-8-18(9-11-29)13-25-14-20-16-28(3)23-7-6-21(32-4)12-22(20)23/h5-7,12,15-16,18,25,31H,2,8-11,13-14H2,1,3-4H3,(H,27,30)/b19-5+,26-15-
InChIKeyMHMFDIUJDNSPKC-AFRKLOQNSA-N
XLogP2.98
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide with MolForge

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Related Compounds

ethyl (E)-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enoate
CID 143172447
acetaldehyde;but-1-ene;(E)-N-hydroxy-2-[(Z)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethenyliminomethyl]but-2-enamide;2-methylnaphthalene
CID 142804524
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
3-bromo-5-methoxy-1-methylindole
CID 67003649
2-[[1-methyl-5-(trifluoromethoxy)indol-3-yl]methylamino]ethanol
CID 125472147
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide?
The IUPAC name of (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide (CID 143172514) is (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide?
The canonical SMILES for (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide is C=C(/N=C\C(=C/C)C(=O)NO)N1CCC(CNCc2cn(C)c3ccc(OC)cc23)CC1.
What is the InChIKey of (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide?
The InChIKey is MHMFDIUJDNSPKC-AFRKLOQNSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-5-19(24(30)27-31)15-26-17(2)29-10-8-18(9-11-29)13-25-14-20-16-28(3)23-7-6-21(32-4)12-22(20)23/h5-7,12,15-16,18,25,31H,2,8-11,13-14H2,1,3-4H3,(H,27,30)/b19-5+,26-15-.
What are the key properties of (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide?
(E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide has a molecular weight of 439.56 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-2-[(Z)-1-[4-[[(5-methoxy-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]ethenyliminomethyl]but-2-enamide is sourced from PubChem (CID 143172514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).