[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone

C17H21F3N2O — CID 95043098

IUPAC[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1
InChIInChI=1S/C17H21F3N2O/c1-21-10-8-16(11-21)7-4-9-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3/t16-/m0/s1
InChIKeyDSUASNYEKBIOLK-INIZCTEOSA-N
MW326.36 g/mol
LogP3.26
Rot. Bonds1

About [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone

[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 95043098) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID95043098
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN1CC[C@@]2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1
InChIInChI=1S/C17H21F3N2O/c1-21-10-8-16(11-21)7-4-9-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3/t16-/m0/s1
InChIKeyDSUASNYEKBIOLK-INIZCTEOSA-N
XLogP3.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 134073617
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
[(6R)-8-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043133
3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 72865109
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95043075
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 99971985

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 95043098) is [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone is CN1CC[C@@]2(CCCN(C(=O)c3ccccc3C(F)(F)F)C2)C1.
What is the InChIKey of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is DSUASNYEKBIOLK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-21-10-8-16(11-21)7-4-9-22(12-16)15(23)13-5-2-3-6-14(13)17(18,19)20/h2-3,5-6H,4,7-12H2,1H3/t16-/m0/s1.
What are the key properties of [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone?
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 326.36 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 95043098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).