3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

C15H19N3O2S — CID 24640337

IUPAC3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC1CCCCN1C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H19N3O2S/c1-11-4-2-3-7-18(11)13(19)5-8-17-10-16-14-12(15(17)20)6-9-21-14/h6,9-11H,2-5,7-8H2,1H3
InChIKeyYPCNAMXRWCLJJW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.25
Rot. Bonds3

About 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 24640337) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID24640337
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
SMILESCC1CCCCN1C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H19N3O2S/c1-11-4-2-3-7-18(11)13(19)5-8-17-10-16-14-12(15(17)20)6-9-21-14/h6,9-11H,2-5,7-8H2,1H3
InChIKeyYPCNAMXRWCLJJW-UHFFFAOYSA-N
XLogP2.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9267178
N-cyclohexyl-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372649
N-(2-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16327118
N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9440274
3-[2-(morpholin-4-yl)-2-oxoethyl]-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 18776375
3-[3-(2-Ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268
N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
CID 51078244
3-(2-Aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 138040267
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8852360
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16271914
N-(1-methoxypropan-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24658861
3-Methyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 42896925

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one (CID 24640337) is 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one is CC1CCCCN1C(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YPCNAMXRWCLJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-2-3-7-18(11)13(19)5-8-17-10-16-14-12(15(17)20)6-9-21-14/h6,9-11H,2-5,7-8H2,1H3.
What are the key properties of 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one?
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 24640337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).