N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide

C25H24N2O2S — CID 26462653

IUPACN-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C25H24N2O2S/c28-24(14-12-22-11-13-23(30-22)19-7-3-1-4-8-19)27-17-15-20(16-18-27)25(29)26-21-9-5-2-6-10-21/h1-14,20H,15-18H2,(H,26,29)/b14-12+
InChIKeyUQMDEOBRMAUQDV-WYMLVPIESA-N
MW416.55 g/mol
LogP5.31
Rot. Bonds5

About N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide

N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide (PubChem CID 26462653) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
PubChem CID26462653
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC NameN-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1
InChIInChI=1S/C25H24N2O2S/c28-24(14-12-22-11-13-23(30-22)19-7-3-1-4-8-19)27-17-15-20(16-18-27)25(29)26-21-9-5-2-6-10-21/h1-14,20H,15-18H2,(H,26,29)/b14-12+
InChIKeyUQMDEOBRMAUQDV-WYMLVPIESA-N
XLogP5.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 25478855
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
(E)-1-morpholin-4-yl-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 17432981
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
1-(3-hydroxypiperidin-1-yl)-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 110880467
1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 24612704
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one
CID 72688380
1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9170572
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide (CID 26462653) is N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1.
What is the InChIKey of N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is UQMDEOBRMAUQDV-WYMLVPIESA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-24(14-12-22-11-13-23(30-22)19-7-3-1-4-8-19)27-17-15-20(16-18-27)25(29)26-21-9-5-2-6-10-21/h1-14,20H,15-18H2,(H,26,29)/b14-12+.
What are the key properties of N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide?
N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 26462653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).