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

C14H16N4O3S — CID 30090161

IUPAC1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1
InChIInChI=1S/C14H16N4O3S/c15-13(20)9-1-4-17(5-2-9)11(19)7-18-8-16-10-3-6-22-12(10)14(18)21/h3,6,8-9H,1-2,4-5,7H2,(H2,15,20)
InChIKeyIFJDZJLMYJFQGT-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.18
Rot. Bonds3

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

1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 30090161) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID30090161
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1
InChIInChI=1S/C14H16N4O3S/c15-13(20)9-1-4-17(5-2-9)11(19)7-18-8-16-10-3-6-22-12(10)14(18)21/h3,6,8-9H,1-2,4-5,7H2,(H2,15,20)
InChIKeyIFJDZJLMYJFQGT-UHFFFAOYSA-N
XLogP0.18
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 30090006
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 41036645
N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 39014163
3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 39013558
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-[2-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 99982099
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
1-[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 46641538
3-[2-(2-butyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 56918490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (CID 30090161) is 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2cnc3ccsc3c2=O)CC1.
What is the InChIKey of 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is IFJDZJLMYJFQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c15-13(20)9-1-4-17(5-2-9)11(19)7-18-8-16-10-3-6-22-12(10)14(18)21/h3,6,8-9H,1-2,4-5,7H2,(H2,15,20).
What are the key properties of 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 30090161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).