1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide

C16H22N4O2S — CID 45202620

IUPAC1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
SMILESCc1csc2c(=O)n(CCCN3CCCC(C(N)=O)C3)cnc12
InChIInChI=1S/C16H22N4O2S/c1-11-9-23-14-13(11)18-10-20(16(14)22)7-3-6-19-5-2-4-12(8-19)15(17)21/h9-10,12H,2-8H2,1H3,(H2,17,21)
InChIKeyXYPRKOHLPLUUDB-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.35
Rot. Bonds5

About 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide

1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide (PubChem CID 45202620) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
PubChem CID45202620
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
SMILESCc1csc2c(=O)n(CCCN3CCCC(C(N)=O)C3)cnc12
InChIInChI=1S/C16H22N4O2S/c1-11-9-23-14-13(11)18-10-20(16(14)22)7-3-6-19-5-2-4-12(8-19)15(17)21/h9-10,12H,2-8H2,1H3,(H2,17,21)
InChIKeyXYPRKOHLPLUUDB-UHFFFAOYSA-N
XLogP1.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 95119867
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685631
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 72854350
(3S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidine-3-carboxamide
CID 97271140
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide (CID 45202620) is 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide is Cc1csc2c(=O)n(CCCN3CCCC(C(N)=O)C3)cnc12.
What is the InChIKey of 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide?
The InChIKey is XYPRKOHLPLUUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-9-23-14-13(11)18-10-20(16(14)22)7-3-6-19-5-2-4-12(8-19)15(17)21/h9-10,12H,2-8H2,1H3,(H2,17,21).
What are the key properties of 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide?
1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 45202620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).