N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide

C26H31N3O5 — CID 43006813

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O5/c1-3-33-22-10-12-23(13-11-22)34-19(2)25(31)27-28-26(32)21-15-17-29(18-16-21)24(30)14-9-20-7-5-4-6-8-20/h4-14,19,21H,3,15-18H2,1-2H3,(H,27,31)(H,28,32)/b14-9+
InChIKeyNUQKZWADMDIAIP-NTEUORMPSA-N
MW465.55 g/mol
LogP2.95
Rot. Bonds8

About N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide (PubChem CID 43006813) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
PubChem CID43006813
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C26H31N3O5/c1-3-33-22-10-12-23(13-11-22)34-19(2)25(31)27-28-26(32)21-15-17-29(18-16-21)24(30)14-9-20-7-5-4-6-8-20/h4-14,19,21H,3,15-18H2,1-2H3,(H,27,31)(H,28,32)/b14-9+
InChIKeyNUQKZWADMDIAIP-NTEUORMPSA-N
XLogP2.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
[1-oxo-1-(propylamino)propan-2-yl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 55424115
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
CID 46697647
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 25482613
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39702209
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
(1-amino-1-oxopropan-2-yl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 46792726

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide (CID 43006813) is N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide?
The InChIKey is NUQKZWADMDIAIP-NTEUORMPSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-3-33-22-10-12-23(13-11-22)34-19(2)25(31)27-28-26(32)21-15-17-29(18-16-21)24(30)14-9-20-7-5-4-6-8-20/h4-14,19,21H,3,15-18H2,1-2H3,(H,27,31)(H,28,32)/b14-9+.
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide has a molecular weight of 465.55 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 43006813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).