2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H31N3O4S — CID 72846932

IUPAC2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOC1CCN(S(=O)(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)CC1
InChIInChI=1S/C17H31N3O4S/c1-14(2)20-9-4-7-17(16(20)21)8-12-19(13-17)25(22,23)18-10-5-15(24-3)6-11-18/h14-15H,4-13H2,1-3H3
InChIKeyYQBORFIGGQZCET-UHFFFAOYSA-N
MW373.52 g/mol
LogP1.06
Rot. Bonds4

About 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72846932) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72846932
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCOC1CCN(S(=O)(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)CC1
InChIInChI=1S/C17H31N3O4S/c1-14(2)20-9-4-7-17(16(20)21)8-12-19(13-17)25(22,23)18-10-5-15(24-3)6-11-18/h14-15H,4-13H2,1-3H3
InChIKeyYQBORFIGGQZCET-UHFFFAOYSA-N
XLogP1.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72846932) is 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is COC1CCN(S(=O)(=O)N2CCC3(CCCN(C(C)C)C3=O)C2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YQBORFIGGQZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-14(2)20-9-4-7-17(16(20)21)8-12-19(13-17)25(22,23)18-10-5-15(24-3)6-11-18/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 373.52 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)sulfonyl-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72846932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).