1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one

C15H19F3N4O — CID 164884537

IUPAC1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)11-9-19-14(20-10-11)21-7-4-12(5-8-21)22-6-2-1-3-13(22)23/h9-10,12H,1-8H2
InChIKeyGXAWWXPFHNBJKJ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.48
Rot. Bonds2

About 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one

1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one (PubChem CID 164884537) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
PubChem CID164884537
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
SMILESO=C1CCCCN1C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)11-9-19-14(20-10-11)21-7-4-12(5-8-21)22-6-2-1-3-13(22)23/h9-10,12H,1-8H2
InChIKeyGXAWWXPFHNBJKJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one (CID 164884537) is 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one is O=C1CCCCN1C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one?
The InChIKey is GXAWWXPFHNBJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)11-9-19-14(20-10-11)21-7-4-12(5-8-21)22-6-2-1-3-13(22)23/h9-10,12H,1-8H2.
What are the key properties of 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one?
1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one has a molecular weight of 328.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 164884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).