2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane

C24H44FN3 — CID 171748316

IUPAC2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCN(CC3(F)CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)18-26-11-13-27(14-12-26)19-24(25)16-23(17-24)7-9-28(10-8-23)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeySFAWWJGTYMRZOK-UHFFFAOYSA-N
MW393.64 g/mol
LogP4.42
Rot. Bonds7

About 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane

2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 171748316) has the molecular formula C24H44FN3 and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID171748316
Molecular FormulaC24H44FN3
Molecular Weight393.64 g/mol
Exact Mass393.35
IUPAC Name2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCN(CC3(F)CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)18-26-11-13-27(14-12-26)19-24(25)16-23(17-24)7-9-28(10-8-23)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeySFAWWJGTYMRZOK-UHFFFAOYSA-N
XLogP4.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

1-[2,5-Dimethyl-5-[4-[(2-methylcyclopropyl)methyl]piperazin-1-yl]hexan-2-yl]-4-(3-fluorocyclobutyl)piperazine
CID 134202225
1-[2-[2-(4,4-Difluoropiperidin-1-yl)propyl]cyclopropyl]-4-propan-2-ylpiperazine
CID 156508519
6-Cyclopropyl-2-methyl-6-azaspiro[3.5]nonane;9,9-difluoro-2,6-dimethyl-6-azaspiro[3.5]nonane;ethane
CID 164868329
4-Tert-butyl-1-[4-[1-(cyclobutylmethyl)piperidin-4-yl]-1,1,1-trifluoro-4-methylpentan-2-yl]piperidine
CID 167098004
7-[5-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)hexan-2-yl]-4-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 169664693
1-[3-(Difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170951744
4-(3-Propan-2-ylcyclobutyl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-(trifluoromethyl)piperazine
CID 170951758
1-(3-Ethylcyclobutyl)-4-[(1-ethylpiperidin-4-yl)methyl]-4-fluoropiperidine
CID 170952277
1-[[3,3-Difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 170952550
1-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 170953003
4-Fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 170954111
2-Fluoro-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656973

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 171748316) is 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)CC1(CN2CCN(CC3(F)CC4(CCN(C(C)C)CC4)C3)CC2)CC1.
What is the InChIKey of 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is SFAWWJGTYMRZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)18-26-11-13-27(14-12-26)19-24(25)16-23(17-24)7-9-28(10-8-23)21(3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane?
2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 393.64 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[[4-[[1-(2-methylpropyl)cyclopropyl]methyl]piperazin-1-yl]methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 171748316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).