1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one

C24H35FN2O — CID 24876754

IUPAC1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
SMILESCC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H35FN2O/c1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24/h6-7,17,21H,4-5,8-16H2,1-3H3/t21-/m0/s1
InChIKeyIRQAPBMDYYUKFM-NRFANRHFSA-N
MW386.56 g/mol
LogP5.05
Rot. Bonds3

About 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one

1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one (PubChem CID 24876754) has the molecular formula C24H35FN2O and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
PubChem CID24876754
Molecular FormulaC24H35FN2O
Molecular Weight386.56 g/mol
Exact Mass386.27
IUPAC Name1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one
SMILESCC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H35FN2O/c1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24/h6-7,17,21H,4-5,8-16H2,1-3H3/t21-/m0/s1
InChIKeyIRQAPBMDYYUKFM-NRFANRHFSA-N
XLogP5.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one (CID 24876754) is 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one is CC(C)(C)CCN1CCC2(CC[C@H](N3CCCC3=O)c3ccc(F)cc32)CC1.
What is the InChIKey of 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
The InChIKey is IRQAPBMDYYUKFM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35FN2O/c1-23(2,3)10-14-26-15-11-24(12-16-26)9-8-21(27-13-4-5-22(27)28)19-7-6-18(25)17-20(19)24/h6-7,17,21H,4-5,8-16H2,1-3H3/t21-/m0/s1.
What are the key properties of 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one?
1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one has a molecular weight of 386.56 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 24876754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).