1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

C23H28N4OS — CID 39081904

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCCc1cc2c(NCC(=O)N3CCC(Cc4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C23H28N4OS/c1-3-19-14-20-22(25-16(2)26-23(20)29-19)24-15-21(28)27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3,(H,24,25,26)
InChIKeyWNFAINHUTLTYTO-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.46
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (PubChem CID 39081904) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
PubChem CID39081904
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
SMILESCCc1cc2c(NCC(=O)N3CCC(Cc4ccccc4)CC3)nc(C)nc2s1
InChIInChI=1S/C23H28N4OS/c1-3-19-14-20-22(25-16(2)26-23(20)29-19)24-15-21(28)27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3,(H,24,25,26)
InChIKeyWNFAINHUTLTYTO-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
1-(4-benzylpiperidin-1-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2417436
ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39085061
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133342557
3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 654691
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 39085002
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
1-(4-benzylpiperidin-1-yl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethanone
CID 133342484
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone (CID 39081904) is 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is CCc1cc2c(NCC(=O)N3CCC(Cc4ccccc4)CC3)nc(C)nc2s1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
The InChIKey is WNFAINHUTLTYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-3-19-14-20-22(25-16(2)26-23(20)29-19)24-15-21(28)27-11-9-18(10-12-27)13-17-7-5-4-6-8-17/h4-8,14,18H,3,9-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone has a molecular weight of 408.57 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone is sourced from PubChem (CID 39081904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).