1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one

C16H23FN4O — CID 133420422

IUPAC1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
SMILESCCc1ncnc(N2CCC(N3CCCCC3=O)CC2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-15(17)16(19-11-18-13)20-9-6-12(7-10-20)21-8-4-3-5-14(21)22/h11-12H,2-10H2,1H3
InChIKeyBYFDFIPPKIQTSS-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.16
Rot. Bonds3

About 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one

1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one (PubChem CID 133420422) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
PubChem CID133420422
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
SMILESCCc1ncnc(N2CCC(N3CCCCC3=O)CC2)c1F
InChIInChI=1S/C16H23FN4O/c1-2-13-15(17)16(19-11-18-13)20-9-6-12(7-10-20)21-8-4-3-5-14(21)22/h11-12H,2-10H2,1H3
InChIKeyBYFDFIPPKIQTSS-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
4-cyclopropyl-5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 163343474
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434886
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
CID 112748054
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one (CID 133420422) is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one is CCc1ncnc(N2CCC(N3CCCCC3=O)CC2)c1F.
What is the InChIKey of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one?
The InChIKey is BYFDFIPPKIQTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-2-13-15(17)16(19-11-18-13)20-9-6-12(7-10-20)21-8-4-3-5-14(21)22/h11-12H,2-10H2,1H3.
What are the key properties of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one?
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one has a molecular weight of 306.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 133420422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).