1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C17H23N3OS — CID 163310565

IUPAC1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCn1ccnc1CCN1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H23N3OS/c1-19-11-7-18-16(19)2-8-20-9-5-17(6-10-20)14-4-13-22-15(14)3-12-21-17/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3
InChIKeyUKZJZTUERWEXSJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.59
Rot. Bonds3

About 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 163310565) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID163310565
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCn1ccnc1CCN1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C17H23N3OS/c1-19-11-7-18-16(19)2-8-20-9-5-17(6-10-20)14-4-13-22-15(14)3-12-21-17/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3
InChIKeyUKZJZTUERWEXSJ-UHFFFAOYSA-N
XLogP2.59
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Related Compounds

1'-[(3-propan-2-ylimidazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135089206
1'-(oxolan-3-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 135088982
2-[1'-[(1-methylimidazol-2-yl)methyl]spiro[2,3-dihydro-4,1-benzoxazepine-5,4'-piperidine]-1-yl]ethanol
CID 97401464
N'-hydroxy-4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboximidamide
CID 107161722
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
CID 114527386
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758
5-[2-(1-methylimidazol-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114528732
5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one
CID 135117302
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 114528797

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 163310565) is 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is Cn1ccnc1CCN1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is UKZJZTUERWEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-19-11-7-18-16(19)2-8-20-9-5-17(6-10-20)14-4-13-22-15(14)3-12-21-17/h4,7,11,13H,2-3,5-6,8-10,12H2,1H3.
What are the key properties of 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 317.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(1-methylimidazol-2-yl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 163310565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).