N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C24H28N4O3S — CID 52845992

IUPACN-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-31-20-13-21(18-7-5-4-6-8-18)32-22(20)24(30)28-11-9-17(10-12-28)14-25-23(29)19-15-26-27(2)16-19/h4-8,13,15-17H,3,9-12,14H2,1-2H3,(H,25,29)
InChIKeyGOTQLHHZAHOSRE-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.83
Rot. Bonds7

About N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 52845992) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID52845992
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-31-20-13-21(18-7-5-4-6-8-18)32-22(20)24(30)28-11-9-17(10-12-28)14-25-23(29)19-15-26-27(2)16-19/h4-8,13,15-17H,3,9-12,14H2,1-2H3,(H,25,29)
InChIKeyGOTQLHHZAHOSRE-UHFFFAOYSA-N
XLogP3.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
N-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312989
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-[[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 139000175
1-methyl-N-[[1-[2-(thiophene-2-carbonylamino)benzoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 60618189
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
(4-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 119375235
N-[[1-(3-ethoxy-4-methylbenzoyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 138031568
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119312996

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 52845992) is N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GOTQLHHZAHOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-31-20-13-21(18-7-5-4-6-8-18)32-22(20)24(30)28-11-9-17(10-12-28)14-25-23(29)19-15-26-27(2)16-19/h4-8,13,15-17H,3,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 52845992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).