1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one

C16H22F2N2O — CID 167460318

IUPAC1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)F)ccn1CC1CCNCC12CCCC2
InChIInChI=1S/C16H22F2N2O/c17-15(18)12-4-8-20(14(21)9-12)10-13-3-7-19-11-16(13)5-1-2-6-16/h4,8-9,13,15,19H,1-3,5-7,10-11H2
InChIKeyRPKGDIXVVMKURN-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.96
Rot. Bonds3

About 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one

1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one (PubChem CID 167460318) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one
PubChem CID167460318
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)F)ccn1CC1CCNCC12CCCC2
InChIInChI=1S/C16H22F2N2O/c17-15(18)12-4-8-20(14(21)9-12)10-13-3-7-19-11-16(13)5-1-2-6-16/h4,8-9,13,15,19H,1-3,5-7,10-11H2
InChIKeyRPKGDIXVVMKURN-UHFFFAOYSA-N
XLogP2.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one?
The IUPAC name of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one (CID 167460318) is 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one is O=c1cc(C(F)F)ccn1CC1CCNCC12CCCC2.
What is the InChIKey of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one?
The InChIKey is RPKGDIXVVMKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-15(18)12-4-8-20(14(21)9-12)10-13-3-7-19-11-16(13)5-1-2-6-16/h4,8-9,13,15,19H,1-3,5-7,10-11H2.
What are the key properties of 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one?
1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one has a molecular weight of 296.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azaspiro[4.5]decan-10-ylmethyl)-4-(difluoromethyl)pyridin-2-one is sourced from PubChem (CID 167460318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).