1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

C20H30N2O4S — CID 170506139

IUPAC1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)C1(CCN(CC3COCCO3)CC1)OCC2
InChIInChI=1S/C20H30N2O4S/c1-2-6-21-19(23)17-12-15-3-9-26-20(18(15)27-17)4-7-22(8-5-20)13-16-14-24-10-11-25-16/h12,16H,2-11,13-14H2,1H3,(H,21,23)
InChIKeyXLCVRBZXZXNWGR-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.17
Rot. Bonds5

About 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide

1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (PubChem CID 170506139) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound Name1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
PubChem CID170506139
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)C1(CCN(CC3COCCO3)CC1)OCC2
InChIInChI=1S/C20H30N2O4S/c1-2-6-21-19(23)17-12-15-3-9-26-20(18(15)27-17)4-7-22(8-5-20)13-16-14-24-10-11-25-16/h12,16H,2-11,13-14H2,1H3,(H,21,23)
InChIKeyXLCVRBZXZXNWGR-UHFFFAOYSA-N
XLogP2.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The IUPAC name of 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide (CID 170506139) is 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide.
What is the SMILES notation for 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The canonical SMILES for 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is CCCNC(=O)c1cc2c(s1)C1(CCN(CC3COCCO3)CC1)OCC2.
What is the InChIKey of 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
The InChIKey is XLCVRBZXZXNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-2-6-21-19(23)17-12-15-3-9-26-20(18(15)27-17)4-7-22(8-5-20)13-16-14-24-10-11-25-16/h12,16H,2-11,13-14H2,1H3,(H,21,23).
What are the key properties of 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide?
1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 170506139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).