1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C19H27N3O4S — CID 170506403

IUPAC1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESNC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)NC3CCOCC3)sc12
InChIInChI=1S/C19H27N3O4S/c20-16(23)12-22-6-4-19(5-7-22)17-13(1-10-26-19)11-15(27-17)18(24)21-14-2-8-25-9-3-14/h11,14H,1-10,12H2,(H2,20,23)(H,21,24)
InChIKeyIJZZOUPWOVQDLD-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.01
Rot. Bonds4

About 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 170506403) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID170506403
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESNC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)NC3CCOCC3)sc12
InChIInChI=1S/C19H27N3O4S/c20-16(23)12-22-6-4-19(5-7-22)17-13(1-10-26-19)11-15(27-17)18(24)21-14-2-8-25-9-3-14/h11,14H,1-10,12H2,(H2,20,23)(H,21,24)
InChIKeyIJZZOUPWOVQDLD-UHFFFAOYSA-N
XLogP1.01
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 170506403) is 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is NC(=O)CN1CCC2(CC1)OCCc1cc(C(=O)NC3CCOCC3)sc12.
What is the InChIKey of 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is IJZZOUPWOVQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c20-16(23)12-22-6-4-19(5-7-22)17-13(1-10-26-19)11-15(27-17)18(24)21-14-2-8-25-9-3-14/h11,14H,1-10,12H2,(H2,20,23)(H,21,24).
What are the key properties of 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 170506403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).