formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H24N6O6S — CID 155879093

IUPACformic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3ccnc3)CCN(C(=O)c3cccs3)CC2)n1.O=CO.O=CO
InChIInChI=1S/C18H20N6O2S.2CH2O2/c1-22-8-4-15(21-22)20-17(26)18(24-11-7-19-13-24)5-9-23(10-6-18)16(25)14-3-2-12-27-14;2*2-1-3/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,21,26);2*1H,(H,2,3)
InChIKeyYVQPGKIQZVJXLY-UHFFFAOYSA-N
MW476.52 g/mol
LogP1.35
Rot. Bonds4

About formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 155879093) has the molecular formula C20H24N6O6S and a molecular weight of 476.52 g/mol. Its IUPAC name is formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID155879093
Molecular FormulaC20H24N6O6S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Nameformic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3ccnc3)CCN(C(=O)c3cccs3)CC2)n1.O=CO.O=CO
InChIInChI=1S/C18H20N6O2S.2CH2O2/c1-22-8-4-15(21-22)20-17(26)18(24-11-7-19-13-24)5-9-23(10-6-18)16(25)14-3-2-12-27-14;2*2-1-3/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,21,26);2*1H,(H,2,3)
InChIKeyYVQPGKIQZVJXLY-UHFFFAOYSA-N
XLogP1.35
TPSA159.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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

4-imidazol-1-yl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 155879722
formic acid;N-(1-methylpyrazol-3-yl)-1-(2-methylsulfonylacetyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873780
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874366
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 155873094
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 45251461
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815757
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 155879093) is formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cn1ccc(NC(=O)C2(n3ccnc3)CCN(C(=O)c3cccs3)CC2)n1.O=CO.O=CO.
What is the InChIKey of formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is YVQPGKIQZVJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S.2CH2O2/c1-22-8-4-15(21-22)20-17(26)18(24-11-7-19-13-24)5-9-23(10-6-18)16(25)14-3-2-12-27-14;2*2-1-3/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,20,21,26);2*1H,(H,2,3).
What are the key properties of formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 155879093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).