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

C15H21ClN4O2S — CID 120557891

IUPACN-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCn1cnc2sccc2c1=O.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10-8-16-5-2-12(10)18-13(20)3-6-19-9-17-14-11(15(19)21)4-7-22-14;/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H,18,20);1H
InChIKeyNHXZLQAHDTWCQS-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.38
Rot. Bonds4

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

N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride (PubChem CID 120557891) has the molecular formula C15H21ClN4O2S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
PubChem CID120557891
Molecular FormulaC15H21ClN4O2S
Molecular Weight356.88 g/mol
Exact Mass356.11
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCn1cnc2sccc2c1=O.Cl
InChIInChI=1S/C15H20N4O2S.ClH/c1-10-8-16-5-2-12(10)18-13(20)3-6-19-9-17-14-11(15(19)21)4-7-22-14;/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H,18,20);1H
InChIKeyNHXZLQAHDTWCQS-UHFFFAOYSA-N
XLogP1.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554425
N-[2-(aminomethyl)cyclohexyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119612266
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532930
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25495928
N-(oxolan-3-ylmethyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 53498479
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594512
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94115436
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride (CID 120557891) is N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride is CC1CNCCC1NC(=O)CCn1cnc2sccc2c1=O.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride?
The InChIKey is NHXZLQAHDTWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.ClH/c1-10-8-16-5-2-12(10)18-13(20)3-6-19-9-17-14-11(15(19)21)4-7-22-14;/h4,7,9-10,12,16H,2-3,5-6,8H2,1H3,(H,18,20);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride has a molecular weight of 356.88 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120557891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).