2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C23H25F2N3O3 — CID 91912734

IUPAC2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2
InChIInChI=1S/C23H25F2N3O3/c24-18-11-17(12-19(25)13-18)22(30)28-14-20(23(15-28)4-9-31-10-5-23)21(29)27-8-3-16-1-6-26-7-2-16/h1-2,6-7,11-13,20H,3-5,8-10,14-15H2,(H,27,29)
InChIKeyBICFBMWUQFVIIM-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.59
Rot. Bonds5

About 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912734) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912734
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCCc1ccncc1)C1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2
InChIInChI=1S/C23H25F2N3O3/c24-18-11-17(12-19(25)13-18)22(30)28-14-20(23(15-28)4-9-31-10-5-23)21(29)27-8-3-16-1-6-26-7-2-16/h1-2,6-7,11-13,20H,3-5,8-10,14-15H2,(H,27,29)
InChIKeyBICFBMWUQFVIIM-UHFFFAOYSA-N
XLogP2.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924934
2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912752
2-[(3-methylthiophen-2-yl)methyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912735
2-(pyridine-4-carbonyl)-N-(2-thiophen-2-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53184624
2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924963
2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924927
(3-fluorophenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912512
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912734) is 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCCc1ccncc1)C1CN(C(=O)c2cc(F)cc(F)c2)CC12CCOCC2.
What is the InChIKey of 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is BICFBMWUQFVIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c24-18-11-17(12-19(25)13-18)22(30)28-14-20(23(15-28)4-9-31-10-5-23)21(29)27-8-3-16-1-6-26-7-2-16/h1-2,6-7,11-13,20H,3-5,8-10,14-15H2,(H,27,29).
What are the key properties of 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).