[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C20H27FN2O2 — CID 131657477

IUPAC[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1
InChIInChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)15-22-13-9-20(10-14-22)8-7-18(25-20)19(24)23-11-1-2-12-23/h3-6,18H,1-2,7-15H2
InChIKeyPTGLLGMSJUYPQV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.96
Rot. Bonds3

About [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131657477) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID131657477
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1
InChIInChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)15-22-13-9-20(10-14-22)8-7-18(25-20)19(24)23-11-1-2-12-23/h3-6,18H,1-2,7-15H2
InChIKeyPTGLLGMSJUYPQV-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891
[8-(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832672
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742192
[8-(furan-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131649618
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
[(6R)-5-oxa-2-azaspiro[3.4]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97399286
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 131657477) is [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1.
What is the InChIKey of [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PTGLLGMSJUYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-5-3-16(4-6-17)15-22-13-9-20(10-14-22)8-7-18(25-20)19(24)23-11-1-2-12-23/h3-6,18H,1-2,7-15H2.
What are the key properties of [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 346.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131657477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).