2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

C24H44FN3 — CID 171748434

IUPAC2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC(F)(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-9-24(25,10-12-26)19-27-17-23(18-27)7-13-28(14-8-23)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyPEBLCQGLAGDJBY-UHFFFAOYSA-N
MW393.64 g/mol
LogP4.42
Rot. Bonds7

About 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 171748434) has the molecular formula C24H44FN3 and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID171748434
Molecular FormulaC24H44FN3
Molecular Weight393.64 g/mol
Exact Mass393.35
IUPAC Name2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC(F)(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-9-24(25,10-12-26)19-27-17-23(18-27)7-13-28(14-8-23)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyPEBLCQGLAGDJBY-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-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane with MolForge

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Related Compounds

7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
CID 171748275
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane
CID 171657305
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 171748434) is 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CCC(F)(CN3CC4(CCN(C(C)C)CC4)C3)CC2)CC1.
What is the InChIKey of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PEBLCQGLAGDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-9-24(25,10-12-26)19-27-17-23(18-27)7-13-28(14-8-23)21(3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[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-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171748434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).