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

C19H20N4O2S — CID 133408084

IUPACN-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccccc4O)CC3)ncnc2s1
InChIInChI=1S/C19H20N4O2S/c1-12-10-14-17(20-11-21-19(14)26-12)23-8-6-13(7-9-23)18(25)22-15-4-2-3-5-16(15)24/h2-5,10-11,13,24H,6-9H2,1H3,(H,22,25)
InChIKeyXBUSOYUELWLAFJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.56
Rot. Bonds3

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

N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 133408084) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID133408084
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccccc4O)CC3)ncnc2s1
InChIInChI=1S/C19H20N4O2S/c1-12-10-14-17(20-11-21-19(14)26-12)23-8-6-13(7-9-23)18(25)22-15-4-2-3-5-16(15)24/h2-5,10-11,13,24H,6-9H2,1H3,(H,22,25)
InChIKeyXBUSOYUELWLAFJ-UHFFFAOYSA-N
XLogP3.56
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.56
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-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129489839
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 18274285
N-(2,5-difluorophenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362799
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
N-(4-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362775
ethyl 2-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 24981791

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 133408084) is N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1cc2c(N3CCC(C(=O)Nc4ccccc4O)CC3)ncnc2s1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XBUSOYUELWLAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-10-14-17(20-11-21-19(14)26-12)23-8-6-13(7-9-23)18(25)22-15-4-2-3-5-16(15)24/h2-5,10-11,13,24H,6-9H2,1H3,(H,22,25).
What are the key properties of N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133408084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).