[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone

C18H24N4OS — CID 36835902

IUPAC[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
SMILESC[C@H]1CCCN(C(=O)C2CCN(c3ncnc4ccsc34)CC2)C1
InChIInChI=1S/C18H24N4OS/c1-13-3-2-7-22(11-13)18(23)14-4-8-21(9-5-14)17-16-15(6-10-24-16)19-12-20-17/h6,10,12-14H,2-5,7-9,11H2,1H3/t13-/m0/s1
InChIKeyCZPVLBVVXOWPIR-ZDUSSCGKSA-N
MW344.48 g/mol
LogP3.17
Rot. Bonds2

About [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone

[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone (PubChem CID 36835902) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
PubChem CID36835902
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
SMILESC[C@H]1CCCN(C(=O)C2CCN(c3ncnc4ccsc34)CC2)C1
InChIInChI=1S/C18H24N4OS/c1-13-3-2-7-22(11-13)18(23)14-4-8-21(9-5-14)17-16-15(6-10-24-16)19-12-20-17/h6,10,12-14H,2-5,7-9,11H2,1H3/t13-/m0/s1
InChIKeyCZPVLBVVXOWPIR-ZDUSSCGKSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
1-[(2S)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)azepan-1-yl]ethanone
CID 95617572
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044416
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783787
4-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[3,2-d]pyrimidine
CID 35783789
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 119884652
1-[(6R)-6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl]ethanone
CID 97129327
tert-butyl (3S)-3-[[(3R)-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-3-yl]carbamoyl]piperidine-1-carboxylate
CID 51961162
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119884643
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone (CID 36835902) is [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone is C[C@H]1CCCN(C(=O)C2CCN(c3ncnc4ccsc34)CC2)C1.
What is the InChIKey of [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone?
The InChIKey is CZPVLBVVXOWPIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-3-2-7-22(11-13)18(23)14-4-8-21(9-5-14)17-16-15(6-10-24-16)19-12-20-17/h6,10,12-14H,2-5,7-9,11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone?
[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 36835902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).