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

C18H28FN5O — CID 84593441

IUPAC2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ncnc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)c1F
InChIInChI=1S/C18H28FN5O/c1-3-15-16(19)17(21-13-20-15)23-11-9-22(10-12-23)14(2)18(25)24-7-5-4-6-8-24/h13-14H,3-12H2,1-2H3
InChIKeyVSRNSYIOPYSJMQ-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.70
Rot. Bonds4

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

2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 84593441) has the molecular formula C18H28FN5O and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID84593441
Molecular FormulaC18H28FN5O
Molecular Weight349.45 g/mol
Exact Mass349.23
IUPAC Name2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ncnc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)c1F
InChIInChI=1S/C18H28FN5O/c1-3-15-16(19)17(21-13-20-15)23-11-9-22(10-12-23)14(2)18(25)24-7-5-4-6-8-24/h13-14H,3-12H2,1-2H3
InChIKeyVSRNSYIOPYSJMQ-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
(2S)-2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 96541906
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
(2S)-1-pyrrolidin-1-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 124756386
2-(4-chlorophenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanol
CID 138996774
N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide
CID 133418675
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 103880054
2-(3,5-dimethylphenoxy)-1-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133421398
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 155974017

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 84593441) is 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CCc1ncnc(N2CCN(C(C)C(=O)N3CCCCC3)CC2)c1F.
What is the InChIKey of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VSRNSYIOPYSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O/c1-3-15-16(19)17(21-13-20-15)23-11-9-22(10-12-23)14(2)18(25)24-7-5-4-6-8-24/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 349.45 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 84593441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).