6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C18H23N3O2S — CID 95606658

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCOC3)C1
InChIInChI=1S/C18H23N3O2S/c1-2-17-19-6-8-21(17)14-4-3-7-20(11-14)18(22)16-10-13-12-23-9-5-15(13)24-16/h6,8,10,14H,2-5,7,9,11-12H2,1H3/t14-/m1/s1
InChIKeyORXPXUUZHQNHCL-CQSZACIVSA-N
MW345.47 g/mol
LogP3.06
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95606658) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95606658
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCOC3)C1
InChIInChI=1S/C18H23N3O2S/c1-2-17-19-6-8-21(17)14-4-3-7-20(11-14)18(22)16-10-13-12-23-9-5-15(13)24-16/h6,8,10,14H,2-5,7,9,11-12H2,1H3/t14-/m1/s1
InChIKeyORXPXUUZHQNHCL-CQSZACIVSA-N
XLogP3.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779726
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
N-(2,2-dimethyloxolan-3-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide
CID 128686368
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 120941407
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545
3-(2-ethylimidazol-1-yl)-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 122130985

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 95606658) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCOC3)C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is ORXPXUUZHQNHCL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-17-19-6-8-21(17)14-4-3-7-20(11-14)18(22)16-10-13-12-23-9-5-15(13)24-16/h6,8,10,14H,2-5,7,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95606658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).