(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C19H29F3N2O2 — CID 42507522

IUPAC(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCC(F)(F)F)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-16(25)24-12-10-18(14-24)8-4-11-23(17(18)26)13-15-5-2-1-3-6-15/h15H,1-14H2/t18-/m1/s1
InChIKeyZAHAVWIDGMZXJU-GOSISDBHSA-N
MW374.45 g/mol
LogP3.75
Rot. Bonds4

About (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42507522) has the molecular formula C19H29F3N2O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42507522
Molecular FormulaC19H29F3N2O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCC(F)(F)F)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-16(25)24-12-10-18(14-24)8-4-11-23(17(18)26)13-15-5-2-1-3-6-15/h15H,1-14H2/t18-/m1/s1
InChIKeyZAHAVWIDGMZXJU-GOSISDBHSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42507522) is (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CCC(F)(F)F)N1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZAHAVWIDGMZXJU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29F3N2O2/c20-19(21,22)9-7-16(25)24-12-10-18(14-24)8-4-11-23(17(18)26)13-15-5-2-1-3-6-15/h15H,1-14H2/t18-/m1/s1.
What are the key properties of (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclohexylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42507522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).