1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C17H31N3O6S — CID 3545167

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H31N3O6S/c1-24-12-2-7-18-16(21)15-3-8-19(9-4-15)27(22,23)20-10-5-17(6-11-20)25-13-14-26-17/h15H,2-14H2,1H3,(H,18,21)
InChIKeyGOVXVPIBMTVHHH-UHFFFAOYSA-N
MW405.52 g/mol
LogP-0.07
Rot. Bonds7

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 3545167) has the molecular formula C17H31N3O6S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID3545167
Molecular FormulaC17H31N3O6S
Molecular Weight405.52 g/mol
Exact Mass405.19
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C17H31N3O6S/c1-24-12-2-7-18-16(21)15-3-8-19(9-4-15)27(22,23)20-10-5-17(6-11-20)25-13-14-26-17/h15H,2-14H2,1H3,(H,18,21)
InChIKeyGOVXVPIBMTVHHH-UHFFFAOYSA-N
XLogP-0.07
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 3545167) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is GOVXVPIBMTVHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O6S/c1-24-12-2-7-18-16(21)15-3-8-19(9-4-15)27(22,23)20-10-5-17(6-11-20)25-13-14-26-17/h15H,2-14H2,1H3,(H,18,21).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3545167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).