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

C24H34FN3O2 — CID 67424181

IUPAC2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESCC1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C24H34FN3O2/c1-18-3-2-11-27(18)19-6-12-26(13-7-19)20-4-5-22(21(25)17-20)28-14-8-24(23(28)29)9-15-30-16-10-24/h4-5,17-19H,2-3,6-16H2,1H3
InChIKeyGPEHHZZZBAJZJZ-UHFFFAOYSA-N
MW415.55 g/mol
LogP3.81
Rot. Bonds3

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

2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (PubChem CID 67424181) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
PubChem CID67424181
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC Name2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one
SMILESCC1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)CC1
InChIInChI=1S/C24H34FN3O2/c1-18-3-2-11-27(18)19-6-12-26(13-7-19)20-4-5-22(21(25)17-20)28-14-8-24(23(28)29)9-15-30-16-10-24/h4-5,17-19H,2-3,6-16H2,1H3
InChIKeyGPEHHZZZBAJZJZ-UHFFFAOYSA-N
XLogP3.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one (CID 67424181) is 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is CC1CCCN1C1CCN(c2ccc(N3CCC4(CCOCC4)C3=O)c(F)c2)CC1.
What is the InChIKey of 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
The InChIKey is GPEHHZZZBAJZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-18-3-2-11-27(18)19-6-12-26(13-7-19)20-4-5-22(21(25)17-20)28-14-8-24(23(28)29)9-15-30-16-10-24/h4-5,17-19H,2-3,6-16H2,1H3.
What are the key properties of 2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one?
2-[2-fluoro-4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one has a molecular weight of 415.55 g/mol, XLogP of 3.81, 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-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]phenyl]-8-oxa-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67424181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).