2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H28FN3O3 — CID 91912739

IUPAC2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C24H28FN3O3/c25-20-3-1-19(2-4-20)15-22(29)28-16-21(24(17-28)8-13-31-14-9-24)23(30)27-12-7-18-5-10-26-11-6-18/h1-6,10-11,21H,7-9,12-17H2,(H,27,30)
InChIKeyBZNDHYWOGAMLOJ-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912739) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912739
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C24H28FN3O3/c25-20-3-1-19(2-4-20)15-22(29)28-16-21(24(17-28)8-13-31-14-9-24)23(30)27-12-7-18-5-10-26-11-6-18/h1-6,10-11,21H,7-9,12-17H2,(H,27,30)
InChIKeyBZNDHYWOGAMLOJ-UHFFFAOYSA-N
XLogP2.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912739) is 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1ccncc1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2.
What is the InChIKey of 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BZNDHYWOGAMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-20-3-1-19(2-4-20)15-22(29)28-16-21(24(17-28)8-13-31-14-9-24)23(30)27-12-7-18-5-10-26-11-6-18/h1-6,10-11,21H,7-9,12-17H2,(H,27,30).
What are the key properties of 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).