N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide

C22H24N4O3S — CID 171784130

IUPACN-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(COc3nc(C)nc4sccc34)cc2)CC1
InChIInChI=1S/C22H24N4O3S/c1-14-23-21(19-9-12-30-22(19)24-14)29-13-16-3-5-17(6-4-16)20(28)25-18-7-10-26(11-8-18)15(2)27/h3-6,9,12,18H,7-8,10-11,13H2,1-2H3,(H,25,28)
InChIKeyWFNVKDYFXXGMDH-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.32
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide

N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide (PubChem CID 171784130) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
PubChem CID171784130
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(COc3nc(C)nc4sccc34)cc2)CC1
InChIInChI=1S/C22H24N4O3S/c1-14-23-21(19-9-12-30-22(19)24-14)29-13-16-3-5-17(6-4-16)20(28)25-18-7-10-26(11-8-18)15(2)27/h3-6,9,12,18H,7-8,10-11,13H2,1-2H3,(H,25,28)
InChIKeyWFNVKDYFXXGMDH-UHFFFAOYSA-N
XLogP3.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide (CID 171784130) is N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide is CC(=O)N1CCC(NC(=O)c2ccc(COc3nc(C)nc4sccc34)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The InChIKey is WFNVKDYFXXGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-23-21(19-9-12-30-22(19)24-14)29-13-16-3-5-17(6-4-16)20(28)25-18-7-10-26(11-8-18)15(2)27/h3-6,9,12,18H,7-8,10-11,13H2,1-2H3,(H,25,28).
What are the key properties of N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide is sourced from PubChem (CID 171784130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).