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

C19H28N4O5S — CID 3236951

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H28N4O5S/c24-18(21-15-16-2-1-7-20-14-16)17-3-8-22(9-4-17)29(25,26)23-10-5-19(6-11-23)27-12-13-28-19/h1-2,7,14,17H,3-6,8-13,15H2,(H,21,24)
InChIKeyMEOLMVBQRJVCMR-UHFFFAOYSA-N
MW424.52 g/mol
LogP0.49
Rot. Bonds5

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3236951) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3236951
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H28N4O5S/c24-18(21-15-16-2-1-7-20-14-16)17-3-8-22(9-4-17)29(25,26)23-10-5-19(6-11-23)27-12-13-28-19/h1-2,7,14,17H,3-6,8-13,15H2,(H,21,24)
InChIKeyMEOLMVBQRJVCMR-UHFFFAOYSA-N
XLogP0.49
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3236951) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)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-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MEOLMVBQRJVCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c24-18(21-15-16-2-1-7-20-14-16)17-3-8-22(9-4-17)29(25,26)23-10-5-19(6-11-23)27-12-13-28-19/h1-2,7,14,17H,3-6,8-13,15H2,(H,21,24).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 0.49, 5 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-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3236951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).