2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

C23H32FN3O2 — CID 58468070

IUPAC2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)C1
InChIInChI=1S/C23H32FN3O2/c1-17-3-2-10-26(17)19-6-11-25(16-19)18-4-5-21(20(24)15-18)27-12-7-23(22(27)28)8-13-29-14-9-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-,19?/m0/s1
InChIKeyVTTXLYRKPJWWNB-KKFHFHRHSA-N
MW401.53 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one

2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (PubChem CID 58468070) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
PubChem CID58468070
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESC[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)C1
InChIInChI=1S/C23H32FN3O2/c1-17-3-2-10-26(17)19-6-11-25(16-19)18-4-5-21(20(24)15-18)27-12-7-23(22(27)28)8-13-29-14-9-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-,19?/m0/s1
InChIKeyVTTXLYRKPJWWNB-KKFHFHRHSA-N
XLogP3.42
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 67424181
2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 46223711
tert-butyl 2-[2-fluoro-4-[(3S)-3-[(2S)-2-methylpiperidin-1-yl]pyrrolidin-1-yl]phenyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 46234059
2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2-azaspiro[4.5]decan-1-one
CID 54597066
2-[2-fluoro-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 151102231
8-(cyclopentylmethyl)-2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46235462
2-[4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-8-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 46235761
2-[2-methyl-4-[(3S)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46234703
2-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 46234850
2-[4-[3-(2-propylpyrrolidin-1-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 46223468
2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 46234855
2-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 75180980

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (CID 58468070) is 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is C[C@H]1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)C1.
What is the InChIKey of 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The InChIKey is VTTXLYRKPJWWNB-KKFHFHRHSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-17-3-2-10-26(17)19-6-11-25(16-19)18-4-5-21(20(24)15-18)27-12-7-23(22(27)28)8-13-29-14-9-23/h4-5,15,17,19H,2-3,6-14,16H2,1H3/t17-,19?/m0/s1.
What are the key properties of 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one has a molecular weight of 401.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58468070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).