2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide

C19H27N3O4S — CID 170509344

IUPAC2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
SMILESNC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)N3CCCC(O)C3)sc12
InChIInChI=1S/C19H27N3O4S/c20-16(24)12-21-7-4-19(5-8-21)17-13(3-9-26-19)10-15(27-17)18(25)22-6-1-2-14(23)11-22/h10,14,23H,1-9,11-12H2,(H2,20,24)
InChIKeyFGUALDLZCPJZFU-UHFFFAOYSA-N
MW393.51 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide

2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide (PubChem CID 170509344) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
PubChem CID170509344
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
SMILESNC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)N3CCCC(O)C3)sc12
InChIInChI=1S/C19H27N3O4S/c20-16(24)12-21-7-4-19(5-8-21)17-13(3-9-26-19)10-15(27-17)18(25)22-6-1-2-14(23)11-22/h10,14,23H,1-9,11-12H2,(H2,20,24)
InChIKeyFGUALDLZCPJZFU-UHFFFAOYSA-N
XLogP0.69
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methylpiperazine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide
CID 170510981
1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506403
[1'-(3-methylbut-2-enyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170508862
1'-[(2R)-2-cyclohexyl-2-hydroxyacetyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696774
(3-hydroxypiperidin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43391538
1'-(2-amino-1,3-thiazole-5-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692583
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-ylmethanone
CID 163315227
morpholin-4-yl-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
CID 169418134
1'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164696752
1'-[2-(1,4-dioxan-2-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 163311020
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[1'-(1,3-oxazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanone
CID 169410674
1'-[1-(methoxymethyl)cyclobutanecarbonyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164695498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The IUPAC name of 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide (CID 170509344) is 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide.
What is the SMILES notation for 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The canonical SMILES for 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide is NC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)N3CCCC(O)C3)sc12.
What is the InChIKey of 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
The InChIKey is FGUALDLZCPJZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c20-16(24)12-21-7-4-19(5-8-21)17-13(3-9-26-19)10-15(27-17)18(25)22-6-1-2-14(23)11-22/h10,14,23H,1-9,11-12H2,(H2,20,24).
What are the key properties of 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide?
2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypiperidine-1-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]acetamide is sourced from PubChem (CID 170509344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).