7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

C16H25F3N2O — CID 45169368

IUPAC7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCCC12CCN(CCCC(F)(F)F)C2
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)6-2-8-20-10-7-15(12-20)5-1-9-21(14(15)22)11-13-3-4-13/h13H,1-12H2
InChIKeyCHYDNPPXKVNMFH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.05
Rot. Bonds5

About 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45169368) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45169368
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CC2)CCCC12CCN(CCCC(F)(F)F)C2
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)6-2-8-20-10-7-15(12-20)5-1-9-21(14(15)22)11-13-3-4-13/h13H,1-12H2
InChIKeyCHYDNPPXKVNMFH-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45169368) is 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CC2)CCCC12CCN(CCCC(F)(F)F)C2.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CHYDNPPXKVNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c17-16(18,19)6-2-8-20-10-7-15(12-20)5-1-9-21(14(15)22)11-13-3-4-13/h13H,1-12H2.
What are the key properties of 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 318.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45169368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).