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

C26H48FN3 — CID 174276918

IUPAC2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCC(C)N1CCC2(CC1)CN(CC1(F)CCN(CC3(CC(C)C)CC3)CC1)C2
InChIInChI=1S/C26H48FN3/c1-5-6-23(4)30-15-9-25(10-16-30)19-29(20-25)21-26(27)11-13-28(14-12-26)18-24(7-8-24)17-22(2)3/h22-23H,5-21H2,1-4H3
InChIKeyAOVHOJULUCNOCN-UHFFFAOYSA-N
MW421.69 g/mol
LogP5.20
Rot. Bonds9

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

2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 174276918) has the molecular formula C26H48FN3 and a molecular weight of 421.69 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-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-pentan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID174276918
Molecular FormulaC26H48FN3
Molecular Weight421.69 g/mol
Exact Mass421.38
IUPAC Name2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCCCC(C)N1CCC2(CC1)CN(CC1(F)CCN(CC3(CC(C)C)CC3)CC1)C2
InChIInChI=1S/C26H48FN3/c1-5-6-23(4)30-15-9-25(10-16-30)19-29(20-25)21-26(27)11-13-28(14-12-26)18-24(7-8-24)17-22(2)3/h22-23H,5-21H2,1-4H3
InChIKeyAOVHOJULUCNOCN-UHFFFAOYSA-N
XLogP5.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.69
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-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-pentan-2-yl-2,7-diazaspiro[3.5]nonane (CID 174276918) is 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-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-pentan-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-pentan-2-yl-2,7-diazaspiro[3.5]nonane is CCCC(C)N1CCC2(CC1)CN(CC1(F)CCN(CC3(CC(C)C)CC3)CC1)C2.
What is the InChIKey of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is AOVHOJULUCNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48FN3/c1-5-6-23(4)30-15-9-25(10-16-30)19-29(20-25)21-26(27)11-13-28(14-12-26)18-24(7-8-24)17-22(2)3/h22-23H,5-21H2,1-4H3.
What are the key properties of 2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-pentan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 421.69 g/mol, XLogP of 5.20, 9 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-pentan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174276918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).