3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C15H21ClN4O2S — CID 119464279

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cnc2sccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C15H20N4O2S.ClH/c20-13(17-9-11-2-1-5-16-8-11)3-6-19-10-18-14-12(15(19)21)4-7-22-14;/h4,7,10-11,16H,1-3,5-6,8-9H2,(H,17,20);1H
InChIKeyQTIJMQLUPUGXAO-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.39
Rot. Bonds5

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119464279) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119464279
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cnc2sccc2c1=O)NCC1CCCNC1
InChIInChI=1S/C15H20N4O2S.ClH/c20-13(17-9-11-2-1-5-16-8-11)3-6-19-10-18-14-12(15(19)21)4-7-22-14;/h4,7,10-11,16H,1-3,5-6,8-9H2,(H,17,20);1H
InChIKeyQTIJMQLUPUGXAO-UHFFFAOYSA-N
XLogP1.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxoquinazolin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462556
N-[(3-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111460304
N-[[(3S)-oxan-3-yl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94632810
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 53498479
N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 120557891
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926
N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554425
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[(1-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111446065
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
CID 29496936
N-[2-(aminomethyl)cyclohexyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119612266
N-[(3-hydroxycyclopentyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119464279) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CCn1cnc2sccc2c1=O)NCC1CCCNC1.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is QTIJMQLUPUGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c20-13(17-9-11-2-1-5-16-8-11)3-6-19-10-18-14-12(15(19)21)4-7-22-14;/h4,7,10-11,16H,1-3,5-6,8-9H2,(H,17,20);1H.
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119464279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).