N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C21H24F2N4O4 — CID 55749507

IUPACN-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cccc(/C=C/C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1OC(F)F
InChIInChI=1S/C21H24F2N4O4/c1-26-13-15(12-24-26)20(29)25-16-8-10-27(11-9-16)18(28)7-6-14-4-3-5-17(30-2)19(14)31-21(22)23/h3-7,12-13,16,21H,8-11H2,1-2H3,(H,25,29)/b7-6+
InChIKeyPUNBQKKICAWCNZ-VOTSOKGWSA-N
MW434.44 g/mol
LogP2.46
Rot. Bonds7

About N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 55749507) has the molecular formula C21H24F2N4O4 and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID55749507
Molecular FormulaC21H24F2N4O4
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC NameN-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cccc(/C=C/C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1OC(F)F
InChIInChI=1S/C21H24F2N4O4/c1-26-13-15(12-24-26)20(29)25-16-8-10-27(11-9-16)18(28)7-6-14-4-3-5-17(30-2)19(14)31-21(22)23/h3-7,12-13,16,21H,8-11H2,1-2H3,(H,25,29)/b7-6+
InChIKeyPUNBQKKICAWCNZ-VOTSOKGWSA-N
XLogP2.46
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-1-[4-(4-methoxybenzoyl)piperidin-1-yl]prop-2-en-1-one
CID 41307867
2,2,2-trifluoro-N-[1-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 108933035
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749638
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
N-(1-cyclopropylethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75129047
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8974951
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8974959
(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108933036
4-[4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 24563487
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-1-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)prop-2-en-1-one
CID 55599359
2-[4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679935

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 55749507) is N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is COc1cccc(/C=C/C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)c1OC(F)F.
What is the InChIKey of N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is PUNBQKKICAWCNZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H24F2N4O4/c1-26-13-15(12-24-26)20(29)25-16-8-10-27(11-9-16)18(28)7-6-14-4-3-5-17(30-2)19(14)31-21(22)23/h3-7,12-13,16,21H,8-11H2,1-2H3,(H,25,29)/b7-6+.
What are the key properties of N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55749507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).