8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

C14H15ClF3N3O — CID 50968620

IUPAC8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C14H15ClF3N3O/c15-10-5-9(14(16,17)18)7-19-12(10)21-3-1-13(2-4-21)6-11(22)20-8-13/h5,7H,1-4,6,8H2,(H,20,22)
InChIKeyVPWVADCKCDFACX-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.86
Rot. Bonds1

About 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50968620) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50968620
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C14H15ClF3N3O/c15-10-5-9(14(16,17)18)7-19-12(10)21-3-1-13(2-4-21)6-11(22)20-8-13/h5,7H,1-4,6,8H2,(H,20,22)
InChIKeyVPWVADCKCDFACX-UHFFFAOYSA-N
XLogP2.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317013
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154818315
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
7-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168906938
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanenitrile
CID 1478430
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
5-chloro-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 26448464
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50968620) is 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1.
What is the InChIKey of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VPWVADCKCDFACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c15-10-5-9(14(16,17)18)7-19-12(10)21-3-1-13(2-4-21)6-11(22)20-8-13/h5,7H,1-4,6,8H2,(H,20,22).
What are the key properties of 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 333.74 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).