1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C20H22N4O2S — CID 26448184

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C
InChIInChI=1S/C20H22N4O2S/c1-12-13(2)27-20-17(12)18(21-11-22-20)24-9-7-14(8-10-24)19(26)23-15-5-3-4-6-16(15)25/h3-6,11,14,25H,7-10H2,1-2H3,(H,23,26)
InChIKeyHFBDWAZIKOKPKV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.87
Rot. Bonds3

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 26448184) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID26448184
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C
InChIInChI=1S/C20H22N4O2S/c1-12-13(2)27-20-17(12)18(21-11-22-20)24-9-7-14(8-10-24)19(26)23-15-5-3-4-6-16(15)25/h3-6,11,14,25H,7-10H2,1-2H3,(H,23,26)
InChIKeyHFBDWAZIKOKPKV-UHFFFAOYSA-N
XLogP3.87
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
methyl 3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]-2-hydroxybenzoate
CID 56543060
ethyl 2-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 24981791
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 30273244
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 30270407
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 30275952
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
CID 78813402

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 26448184) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is HFBDWAZIKOKPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-12-13(2)27-20-17(12)18(21-11-22-20)24-9-7-14(8-10-24)19(26)23-15-5-3-4-6-16(15)25/h3-6,11,14,25H,7-10H2,1-2H3,(H,23,26).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26448184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).