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

C20H28FN3O5S — CID 3243144

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H28FN3O5S/c21-18-3-1-16(2-4-18)15-22-19(25)17-5-9-23(10-6-17)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,17H,5-15H2,(H,22,25)
InChIKeySNSZRWRCGOEVPH-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.24
Rot. Bonds5

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3243144) has the molecular formula C20H28FN3O5S and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3243144
Molecular FormulaC20H28FN3O5S
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H28FN3O5S/c21-18-3-1-16(2-4-18)15-22-19(25)17-5-9-23(10-6-17)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,17H,5-15H2,(H,22,25)
InChIKeySNSZRWRCGOEVPH-UHFFFAOYSA-N
XLogP1.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.24
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-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 3243144) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)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-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SNSZRWRCGOEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O5S/c21-18-3-1-16(2-4-18)15-22-19(25)17-5-9-23(10-6-17)30(26,27)24-11-7-20(8-12-24)28-13-14-29-20/h1-4,17H,5-15H2,(H,22,25).
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 1.24, 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-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3243144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).