1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid

C13H15N3O3S — CID 110278091

IUPAC1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)nc2ccsc2c1=O
InChIInChI=1S/C13H15N3O3S/c1-15-11(17)10-9(4-6-20-10)14-13(15)16-5-2-3-8(7-16)12(18)19/h4,6,8H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyBDMWGWGGOQZESI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.30
Rot. Bonds2

About 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid

1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 110278091) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID110278091
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCn1c(N2CCCC(C(=O)O)C2)nc2ccsc2c1=O
InChIInChI=1S/C13H15N3O3S/c1-15-11(17)10-9(4-6-20-10)14-13(15)16-5-2-3-8(7-16)12(18)19/h4,6,8H,2-3,5,7H2,1H3,(H,18,19)
InChIKeyBDMWGWGGOQZESI-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-one
CID 171999836
tert-butyl 4-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 171334798
1-(3-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 102549318
(3R)-1-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92899237
(3S)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-propylpiperidine-3-carboxamide
CID 92899474
(3S)-N-benzyl-1-[3-(3-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899310
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899472
(3R)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92899499
(3S)-N-(cyclopropylmethyl)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 95113749
(3R)-N-[(2-methylphenyl)methyl]-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92899301
N-[(2-methylphenyl)methyl]-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 50843418
N-(3,4-difluorophenyl)-1-[3-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 50843132

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid (CID 110278091) is 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid is Cn1c(N2CCCC(C(=O)O)C2)nc2ccsc2c1=O.
What is the InChIKey of 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is BDMWGWGGOQZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-15-11(17)10-9(4-6-20-10)14-13(15)16-5-2-3-8(7-16)12(18)19/h4,6,8H,2-3,5,7H2,1H3,(H,18,19).
What are the key properties of 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid?
1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 110278091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).