9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one

C20H25F3N2O2 — CID 162628852

IUPAC9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C20H25F3N2O2/c1-2-11-24-12-5-9-19(18(24)27)10-6-13-25(19)17(26)14-15-7-3-4-8-16(15)20(21,22)23/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyCGWPKWVBUYFBRE-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.64
Rot. Bonds4

About 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one

9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162628852) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162628852
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C20H25F3N2O2/c1-2-11-24-12-5-9-19(18(24)27)10-6-13-25(19)17(26)14-15-7-3-4-8-16(15)20(21,22)23/h3-4,7-8H,2,5-6,9-14H2,1H3
InChIKeyCGWPKWVBUYFBRE-UHFFFAOYSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 163313724
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
(5R)-7-(2-hydroxyethyl)-2-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97143697
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631229
(3R)-3-ethyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 97113303
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931
1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634668
1-(2-cyclopentylacetyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162628512
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192

Frequently Asked Questions

What is the IUPAC name of 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162628852) is 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)Cc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is CGWPKWVBUYFBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c1-2-11-24-12-5-9-19(18(24)27)10-6-13-25(19)17(26)14-15-7-3-4-8-16(15)20(21,22)23/h3-4,7-8H,2,5-6,9-14H2,1H3.
What are the key properties of 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one?
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 382.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162628852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).