N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H24F2N2O3 — CID 25482613

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O3/c24-23(25)30-20-9-6-18(7-10-20)16-26-22(29)19-12-14-27(15-13-19)21(28)11-8-17-4-2-1-3-5-17/h1-11,19,23H,12-16H2,(H,26,29)/b11-8+
InChIKeyGNJXMPBLCRKEHH-DHZHZOJOSA-N
MW414.45 g/mol
LogP3.86
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 25482613) has the molecular formula C23H24F2N2O3 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID25482613
Molecular FormulaC23H24F2N2O3
Molecular Weight414.45 g/mol
Exact Mass414.18
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O3/c24-23(25)30-20-9-6-18(7-10-20)16-26-22(29)19-12-14-27(15-13-19)21(28)11-8-17-4-2-1-3-5-17/h1-11,19,23H,12-16H2,(H,26,29)/b11-8+
InChIKeyGNJXMPBLCRKEHH-DHZHZOJOSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.86
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-phenylprop-2-enoyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 46461401
N-benzyl-1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 26456578
N-benzyl-1-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 24560077
2,2,2-trifluoroethyl 4-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46532378
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43006813
N'-[2-(4-fluorophenyl)acetyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43005507
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 9361911
N-[(4-methoxyphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 7959643
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 25482613) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is GNJXMPBLCRKEHH-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H24F2N2O3/c24-23(25)30-20-9-6-18(7-10-20)16-26-22(29)19-12-14-27(15-13-19)21(28)11-8-17-4-2-1-3-5-17/h1-11,19,23H,12-16H2,(H,26,29)/b11-8+.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 25482613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).