4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide

C18H25N3O2 — CID 75373623

IUPAC4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide
SMILESCCc1ccc(/C(C)=C/C(=O)NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-3-14-4-6-15(7-5-14)13(2)12-17(22)20-16-8-10-21(11-9-16)18(19)23/h4-7,12,16H,3,8-11H2,1-2H3,(H2,19,23)(H,20,22)/b13-12+
InChIKeyGTRZTOXMPISMGB-OUKQBFOZSA-N
MW315.42 g/mol
LogP2.31
Rot. Bonds4

About 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide

4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide (PubChem CID 75373623) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide
PubChem CID75373623
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide
SMILESCCc1ccc(/C(C)=C/C(=O)NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C18H25N3O2/c1-3-14-4-6-15(7-5-14)13(2)12-17(22)20-16-8-10-21(11-9-16)18(19)23/h4-7,12,16H,3,8-11H2,1-2H3,(H2,19,23)(H,20,22)/b13-12+
InChIKeyGTRZTOXMPISMGB-OUKQBFOZSA-N
XLogP2.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
(Z)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]but-2-enamide
CID 51129462
ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
4-[[3-(4-ethylphenyl)but-2-enoylamino]methyl]oxane-4-carboxamide
CID 91943000
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834
ethyl 4-[[N'-[2-(4-ethylphenyl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111859831

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide (CID 75373623) is 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide is CCc1ccc(/C(C)=C/C(=O)NC2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide?
The InChIKey is GTRZTOXMPISMGB-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-14-4-6-15(7-5-14)13(2)12-17(22)20-16-8-10-21(11-9-16)18(19)23/h4-7,12,16H,3,8-11H2,1-2H3,(H2,19,23)(H,20,22)/b13-12+.
What are the key properties of 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide?
4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(4-ethylphenyl)but-2-enoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 75373623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).