1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone

C17H24F2N4O2 — CID 171993026

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
SMILESCOc1ccnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H24F2N4O2/c1-25-14-2-7-20-16(21-14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(18,19)6-11-22/h2,7,13H,3-6,8-12H2,1H3
InChIKeyLIRJHLAVQHJJIB-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.35
Rot. Bonds4

About 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone (PubChem CID 171993026) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
PubChem CID171993026
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
SMILESCOc1ccnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H24F2N4O2/c1-25-14-2-7-20-16(21-14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(18,19)6-11-22/h2,7,13H,3-6,8-12H2,1H3
InChIKeyLIRJHLAVQHJJIB-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone with MolForge

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
2-(4-Methoxypyrimidin-2-YL)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72885752
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
7-(Cyclopropylmethyl)-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72940676
9-(4-Ethoxypyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 129610013
(4R)-4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 129624523
1-[6-(4-Methoxypyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-5,5-dimethylhexan-1-one
CID 137929783
N-butyl-3,3-dimethyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
CID 71097024
N-butyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
CID 71107097
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methyl]carbamic acid
CID 122651643
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone (CID 171993026) is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone is COc1ccnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone?
The InChIKey is LIRJHLAVQHJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-25-14-2-7-20-16(21-14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(18,19)6-11-22/h2,7,13H,3-6,8-12H2,1H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone has a molecular weight of 354.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 171993026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).