cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C22H30FNO2 — CID 164629740

IUPACcyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCCC1)N1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)CCO2
InChIInChI=1S/C22H30FNO2/c23-20-7-3-4-17(15-20)14-18-8-13-26-22(16-18)9-11-24(12-10-22)21(25)19-5-1-2-6-19/h3-4,7,15,18-19H,1-2,5-6,8-14,16H2/t18-/m1/s1
InChIKeyDFBOZUZEZSRWFG-GOSISDBHSA-N
MW359.49 g/mol
LogP4.35
Rot. Bonds3

About cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 164629740) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID164629740
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC Namecyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(C1CCCC1)N1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)CCO2
InChIInChI=1S/C22H30FNO2/c23-20-7-3-4-17(15-20)14-18-8-13-26-22(16-18)9-11-24(12-10-22)21(25)19-5-1-2-6-19/h3-4,7,15,18-19H,1-2,5-6,8-14,16H2/t18-/m1/s1
InChIKeyDFBOZUZEZSRWFG-GOSISDBHSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 164629740) is cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(C1CCCC1)N1CCC2(CC1)C[C@@H](Cc1cccc(F)c1)CCO2.
What is the InChIKey of cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is DFBOZUZEZSRWFG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30FNO2/c23-20-7-3-4-17(15-20)14-18-8-13-26-22(16-18)9-11-24(12-10-22)21(25)19-5-1-2-6-19/h3-4,7,15,18-19H,1-2,5-6,8-14,16H2/t18-/m1/s1.
What are the key properties of cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 359.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(4S)-4-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 164629740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).