N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

C21H24N4O2S — CID 50844707

IUPACN-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCCC2)nc2ccsc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O2S/c26-18(22-15-16-7-3-1-4-8-16)9-13-25-20(27)19-17(10-14-28-19)23-21(25)24-11-5-2-6-12-24/h1,3-4,7-8,10,14H,2,5-6,9,11-13,15H2,(H,22,26)
InChIKeyWSOPKUSHYGCMML-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.15
Rot. Bonds6

About N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 50844707) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID50844707
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1c(N2CCCCC2)nc2ccsc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H24N4O2S/c26-18(22-15-16-7-3-1-4-8-16)9-13-25-20(27)19-17(10-14-28-19)23-21(25)24-11-5-2-6-12-24/h1,3-4,7-8,10,14H,2,5-6,9,11-13,15H2,(H,22,26)
InChIKeyWSOPKUSHYGCMML-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide (CID 50844707) is N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide is O=C(CCn1c(N2CCCCC2)nc2ccsc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is WSOPKUSHYGCMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-18(22-15-16-7-3-1-4-8-16)9-13-25-20(27)19-17(10-14-28-19)23-21(25)24-11-5-2-6-12-24/h1,3-4,7-8,10,14H,2,5-6,9,11-13,15H2,(H,22,26).
What are the key properties of N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?
N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 396.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 50844707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).