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

C21H24N4O2S — CID 171784120

IUPACN-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C21H24N4O2S/c1-14-22-20(18-9-12-28-21(18)23-14)27-13-15-3-5-16(6-4-15)19(26)24-17-7-10-25(2)11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,24,26)
InChIKeyNNAQBPIUOKTKNE-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.40
Rot. Bonds5

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

N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide (PubChem CID 171784120) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
PubChem CID171784120
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide
SMILESCc1nc(OCc2ccc(C(=O)NC3CCN(C)CC3)cc2)c2ccsc2n1
InChIInChI=1S/C21H24N4O2S/c1-14-22-20(18-9-12-28-21(18)23-14)27-13-15-3-5-16(6-4-15)19(26)24-17-7-10-25(2)11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,24,26)
InChIKeyNNAQBPIUOKTKNE-UHFFFAOYSA-N
XLogP3.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide (CID 171784120) is N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide is Cc1nc(OCc2ccc(C(=O)NC3CCN(C)CC3)cc2)c2ccsc2n1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
The InChIKey is NNAQBPIUOKTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-22-20(18-9-12-28-21(18)23-14)27-13-15-3-5-16(6-4-15)19(26)24-17-7-10-25(2)11-8-17/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide?
N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzamide is sourced from PubChem (CID 171784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).