[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C15H21F3N6O — CID 168798772

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESN[C@@H]1CCCN(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C15H21F3N6O/c16-15(17,18)11-8-20-13(21-9-11)22-4-6-23(7-5-22)14(25)24-3-1-2-12(19)10-24/h8-9,12H,1-7,10,19H2/t12-/m1/s1
InChIKeyJLONMEZKZKVJAV-GFCCVEGCSA-N
MW358.37 g/mol
LogP1.16
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 168798772) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID168798772
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESN[C@@H]1CCCN(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C15H21F3N6O/c16-15(17,18)11-8-20-13(21-9-11)22-4-6-23(7-5-22)14(25)24-3-1-2-12(19)10-24/h8-9,12H,1-7,10,19H2/t12-/m1/s1
InChIKeyJLONMEZKZKVJAV-GFCCVEGCSA-N
XLogP1.16
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 168798772) is [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is N[C@@H]1CCCN(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is JLONMEZKZKVJAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21F3N6O/c16-15(17,18)11-8-20-13(21-9-11)22-4-6-23(7-5-22)14(25)24-3-1-2-12(19)10-24/h8-9,12H,1-7,10,19H2/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 358.37 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 168798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).