[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H26N2O5S — CID 4528444

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H26N2O5S/c22-18(20-12-8-19(9-13-20)25-14-15-26-19)16-6-10-21(11-7-16)27(23,24)17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyXHFVEIRYEWJAQF-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.45
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 4528444) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID4528444
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H26N2O5S/c22-18(20-12-8-19(9-13-20)25-14-15-26-19)16-6-10-21(11-7-16)27(23,24)17-4-2-1-3-5-17/h1-5,16H,6-15H2
InChIKeyXHFVEIRYEWJAQF-UHFFFAOYSA-N
XLogP1.45
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 4528444) is [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is XHFVEIRYEWJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c22-18(20-12-8-19(9-13-20)25-14-15-26-19)16-6-10-21(11-7-16)27(23,24)17-4-2-1-3-5-17/h1-5,16H,6-15H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 394.49 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 4528444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).