2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C16H20F3N5O2 — CID 110344246

IUPAC2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)14(26)24-6-1-3-12(11-24)13(25)22-7-9-23(10-8-22)15-20-4-2-5-21-15/h2,4-5,12H,1,3,6-11H2
InChIKeyOTBOVABXTDBSJY-UHFFFAOYSA-N
MW371.36 g/mol
LogP0.93
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110344246) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID110344246
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H20F3N5O2/c17-16(18,19)14(26)24-6-1-3-12(11-24)13(25)22-7-9-23(10-8-22)15-20-4-2-5-21-15/h2,4-5,12H,1,3,6-11H2
InChIKeyOTBOVABXTDBSJY-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
2,2,2-trifluoro-1-[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110344243
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(1-pyrimidin-2-ylpiperidin-3-yl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850146
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344229
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55637957
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
ethyl 4-[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 110344239
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 110344246) is 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is O=C(C1CCCN(C(=O)C(F)(F)F)C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is OTBOVABXTDBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c17-16(18,19)14(26)24-6-1-3-12(11-24)13(25)22-7-9-23(10-8-22)15-20-4-2-5-21-15/h2,4-5,12H,1,3,6-11H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 371.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110344246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).