N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide

C16H20N4O3S — CID 51078244

IUPACN-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C16H20N4O3S/c1-17-14(22)12-4-2-3-7-20(12)13(21)5-8-19-10-18-15-11(16(19)23)6-9-24-15/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,22)
InChIKeyIEIZBNDSFMQXIV-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.98
Rot. Bonds4

About N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide

N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide (PubChem CID 51078244) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
PubChem CID51078244
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C16H20N4O3S/c1-17-14(22)12-4-2-3-7-20(12)13(21)5-8-19-10-18-15-11(16(19)23)6-9-24-15/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,22)
InChIKeyIEIZBNDSFMQXIV-UHFFFAOYSA-N
XLogP0.98
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 733723
N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9440274
3-[3-(2-Methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 24640337
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24646222
3-[3-(2-Ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268
3-(2-Aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 138040267
2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 4194956
N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594272
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8852360

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide (CID 51078244) is N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide?
The InChIKey is IEIZBNDSFMQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-17-14(22)12-4-2-3-7-20(12)13(21)5-8-19-10-18-15-11(16(19)23)6-9-24-15/h6,9-10,12H,2-5,7-8H2,1H3,(H,17,22).
What are the key properties of N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide?
N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide is sourced from PubChem (CID 51078244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).