1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one

C20H33F3N2O — CID 25382997

IUPAC1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C20H33F3N2O/c21-20(22,23)10-7-18(26)25-14-11-19(16-25)9-4-12-24(15-19)13-8-17-5-2-1-3-6-17/h17H,1-16H2/t19-/m1/s1
InChIKeySIVHDGMBFWRIDB-LJQANCHMSA-N
MW374.49 g/mol
LogP4.61
Rot. Bonds5

About 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one

1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 25382997) has the molecular formula C20H33F3N2O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one
PubChem CID25382997
Molecular FormulaC20H33F3N2O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC Name1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1
InChIInChI=1S/C20H33F3N2O/c21-20(22,23)10-7-18(26)25-14-11-19(16-25)9-4-12-24(15-19)13-8-17-5-2-1-3-6-17/h17H,1-16H2/t19-/m1/s1
InChIKeySIVHDGMBFWRIDB-LJQANCHMSA-N
XLogP4.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one (CID 25382997) is 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1.
What is the InChIKey of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is SIVHDGMBFWRIDB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33F3N2O/c21-20(22,23)10-7-18(26)25-14-11-19(16-25)9-4-12-24(15-19)13-8-17-5-2-1-3-6-17/h17H,1-16H2/t19-/m1/s1.
What are the key properties of 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one?
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 374.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 25382997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).