[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone

C22H25FN2O — CID 3234539

IUPAC[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H25FN2O/c23-20-9-4-8-19(14-20)21(26)25-12-5-10-22(17-25)11-13-24(16-22)15-18-6-2-1-3-7-18/h1-4,6-9,14H,5,10-13,15-17H2/t22-/m0/s1
InChIKeyLPFPCWVNHXSBMZ-QFIPXVFZSA-N
MW352.45 g/mol
LogP3.95
Rot. Bonds3

About [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone

[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone (PubChem CID 3234539) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone
PubChem CID3234539
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H25FN2O/c23-20-9-4-8-19(14-20)21(26)25-12-5-10-22(17-25)11-13-24(16-22)15-18-6-2-1-3-7-18/h1-4,6-9,14H,5,10-13,15-17H2/t22-/m0/s1
InChIKeyLPFPCWVNHXSBMZ-QFIPXVFZSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
1-(2,6-Difluorobenzoyl)pyrrolidine
CID 588246
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone (CID 3234539) is [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone?
The InChIKey is LPFPCWVNHXSBMZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-20-9-4-8-19(14-20)21(26)25-12-5-10-22(17-25)11-13-24(16-22)15-18-6-2-1-3-7-18/h1-4,6-9,14H,5,10-13,15-17H2/t22-/m0/s1.
What are the key properties of [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone?
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone has a molecular weight of 352.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 3234539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).