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

C24H44FN3 — CID 171748423

IUPAC2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-7-23(8-12-26)17-27(18-23)19-24(25)9-13-28(14-10-24)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyYCALCGSWCNQWOF-UHFFFAOYSA-N
MW393.64 g/mol
LogP4.42
Rot. Bonds7

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

2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 171748423) has the molecular formula C24H44FN3 and a molecular weight of 393.64 g/mol. Its IUPAC name is 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID171748423
Molecular FormulaC24H44FN3
Molecular Weight393.64 g/mol
Exact Mass393.35
IUPAC Name2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-7-23(8-12-26)17-27(18-23)19-24(25)9-13-28(14-10-24)21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyYCALCGSWCNQWOF-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane (CID 171748423) is 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CC1(CN2CCC3(CC2)CN(CC2(F)CCN(C(C)C)CC2)C3)CC1.
What is the InChIKey of 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is YCALCGSWCNQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44FN3/c1-20(2)15-22(5-6-22)16-26-11-7-23(8-12-26)17-27(18-23)19-24(25)9-13-28(14-10-24)21(3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of 2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane?
2-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-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-propan-2-ylpiperidin-4-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 171748423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).