1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C19H28N4O5S — CID 4651124

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H28N4O5S/c24-18(21-15-17-3-1-2-8-20-17)16-4-9-22(10-5-16)29(25,26)23-11-6-19(7-12-23)27-13-14-28-19/h1-3,8,16H,4-7,9-15H2,(H,21,24)
InChIKeyKREDSAPDMHEAJA-UHFFFAOYSA-N
MW424.52 g/mol
LogP0.49
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 4651124) 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-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID4651124
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H28N4O5S/c24-18(21-15-17-3-1-2-8-20-17)16-4-9-22(10-5-16)29(25,26)23-11-6-19(7-12-23)27-13-14-28-19/h1-3,8,16H,4-7,9-15H2,(H,21,24)
InChIKeyKREDSAPDMHEAJA-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

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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-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 4651124) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)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-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KREDSAPDMHEAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c24-18(21-15-17-3-1-2-8-20-17)16-4-9-22(10-5-16)29(25,26)23-11-6-19(7-12-23)27-13-14-28-19/h1-3,8,16H,4-7,9-15H2,(H,21,24).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(pyridin-2-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-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 4651124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).