(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C26H27FN4O3 — CID 25366241

IUPAC(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3cccc(F)c3)cc1)CC2
InChIInChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)22-15-26(22)10-12-31(13-11-26)24(32)19-8-6-18(7-9-19)20-4-3-5-21(27)14-20/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyZADYUZYQGCOHCU-QFIPXVFZSA-N
MW462.53 g/mol
LogP4.09
Rot. Bonds5

About (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 25366241) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID25366241
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3cccc(F)c3)cc1)CC2
InChIInChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)22-15-26(22)10-12-31(13-11-26)24(32)19-8-6-18(7-9-19)20-4-3-5-21(27)14-20/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1
InChIKeyZADYUZYQGCOHCU-QFIPXVFZSA-N
XLogP4.09
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466410
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
6-[(2'-fluoro-3-biphenylyl)carbonyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45212602
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 118754012
N-[2-(2,4-difluorophenyl)-1-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 126466310
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45377934
8-fluoro-N-[(3-fluorophenyl)methyl]-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 91386027
(2R)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25293425
(2S)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[4-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25293427
(2S)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 25366252
3-(3-fluorophenyl)-6-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-1-[2-(1-piperidinyl)ethyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 26223589

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 25366241) is (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)c1ccc(-c3cccc(F)c3)cc1)CC2.
What is the InChIKey of (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZADYUZYQGCOHCU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-23(29-34-28-17)16-30(2)25(33)22-15-26(22)10-12-31(13-11-26)24(32)19-8-6-18(7-9-19)20-4-3-5-21(27)14-20/h3-9,14,22H,10-13,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[4-(3-fluorophenyl)benzoyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 25366241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).