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

C22H32N4OS — CID 112816452

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
SMILESCCC1CCC(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1
InChIInChI=1S/C22H32N4OS/c1-4-16-5-7-18(8-6-16)25-21(27)17-9-11-26(12-10-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h13,16-18H,4-12H2,1-3H3,(H,25,27)
InChIKeyOVLUNPHLGSFNHQ-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.61
Rot. Bonds4

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

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide (PubChem CID 112816452) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
PubChem CID112816452
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
SMILESCCC1CCC(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1
InChIInChI=1S/C22H32N4OS/c1-4-16-5-7-18(8-6-16)25-21(27)17-9-11-26(12-10-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h13,16-18H,4-12H2,1-3H3,(H,25,27)
InChIKeyOVLUNPHLGSFNHQ-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119513267
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
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-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide (CID 112816452) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide is CCC1CCC(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)CC1.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is OVLUNPHLGSFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-4-16-5-7-18(8-6-16)25-21(27)17-9-11-26(12-10-17)20-19-14(2)15(3)28-22(19)24-13-23-20/h13,16-18H,4-12H2,1-3H3,(H,25,27).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 112816452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).