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

C21H24N4OS — CID 9268829

IUPACN-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1C
InChIInChI=1S/C21H24N4OS/c1-14-15(2)27-21-18(14)19(23-13-24-21)25-10-8-17(9-11-25)20(26)22-12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,26)
InChIKeyAQWHOUDUJKITJY-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.84
Rot. Bonds4

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

N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 9268829) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID9268829
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1C
InChIInChI=1S/C21H24N4OS/c1-14-15(2)27-21-18(14)19(23-13-24-21)25-10-8-17(9-11-25)20(26)22-12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,26)
InChIKeyAQWHOUDUJKITJY-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.84
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-[[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
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-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55661085
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
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
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
4-(azepan-1-yl)-N-benzyl-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 22585757
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 9268829) is N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1C.
What is the InChIKey of N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is AQWHOUDUJKITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-15(2)27-21-18(14)19(23-13-24-21)25-10-8-17(9-11-25)20(26)22-12-16-6-4-3-5-7-16/h3-7,13,17H,8-12H2,1-2H3,(H,22,26).
What are the key properties of N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 9268829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).