1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C21H31N3O5S — CID 3707508

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O5S/c1-17(18-5-3-2-4-6-18)22-20(25)19-7-11-23(12-8-19)30(26,27)24-13-9-21(10-14-24)28-15-16-29-21/h2-6,17,19H,7-16H2,1H3,(H,22,25)
InChIKeyGBYRDQASFOXVHO-UHFFFAOYSA-N
MW437.56 g/mol
LogP1.66
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 3707508) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID3707508
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)c1ccccc1
InChIInChI=1S/C21H31N3O5S/c1-17(18-5-3-2-4-6-18)22-20(25)19-7-11-23(12-8-19)30(26,27)24-13-9-21(10-14-24)28-15-16-29-21/h2-6,17,19H,7-16H2,1H3,(H,22,25)
InChIKeyGBYRDQASFOXVHO-UHFFFAOYSA-N
XLogP1.66
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 3707508) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)c1ccccc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is GBYRDQASFOXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-17(18-5-3-2-4-6-18)22-20(25)19-7-11-23(12-8-19)30(26,27)24-13-9-21(10-14-24)28-15-16-29-21/h2-6,17,19H,7-16H2,1H3,(H,22,25).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3707508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).