1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide

C27H30N4O3S — CID 55661085

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccc(COCc5ccco5)c4)CC3)c2c1C
InChIInChI=1S/C27H30N4O3S/c1-18-19(2)35-27-24(18)25(29-17-30-27)31-10-8-22(9-11-31)26(32)28-14-20-5-3-6-21(13-20)15-33-16-23-7-4-12-34-23/h3-7,12-13,17,22H,8-11,14-16H2,1-2H3,(H,28,32)
InChIKeyLXFGNEXDKIHDRC-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.15
Rot. Bonds8

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

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55661085) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID55661085
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4cccc(COCc5ccco5)c4)CC3)c2c1C
InChIInChI=1S/C27H30N4O3S/c1-18-19(2)35-27-24(18)25(29-17-30-27)31-10-8-22(9-11-31)26(32)28-14-20-5-3-6-21(13-20)15-33-16-23-7-4-12-34-23/h3-7,12-13,17,22H,8-11,14-16H2,1-2H3,(H,28,32)
InChIKeyLXFGNEXDKIHDRC-UHFFFAOYSA-N
XLogP5.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55954269
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38542466
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55573149
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-[3-(diethylaminomethyl)phenyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 38748570
N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119513267
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-[2-(4-methoxyphenoxy)acetyl]piperidine-4-carbohydrazide
CID 25162448

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide (CID 55661085) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NCc4cccc(COCc5ccco5)c4)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is LXFGNEXDKIHDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-18-19(2)35-27-24(18)25(29-17-30-27)31-10-8-22(9-11-31)26(32)28-14-20-5-3-6-21(13-20)15-33-16-23-7-4-12-34-23/h3-7,12-13,17,22H,8-11,14-16H2,1-2H3,(H,28,32).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).