3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one

C16H23F3N4O — CID 154805649

IUPAC3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-13-2-1-9-23(10-13)14-15(24)21-8-7-20-14/h7-8,11-13,22H,1-6,9-10H2,(H,21,24)
InChIKeyKTIUOIZWZLUSOA-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.45
Rot. Bonds3

About 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 154805649) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID154805649
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCCC(NC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H23F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-13-2-1-9-23(10-13)14-15(24)21-8-7-20-14/h7-8,11-13,22H,1-6,9-10H2,(H,21,24)
InChIKeyKTIUOIZWZLUSOA-UHFFFAOYSA-N
XLogP2.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 154805649) is 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCCC(NC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is KTIUOIZWZLUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c17-16(18,19)11-3-5-12(6-4-11)22-13-2-1-9-23(10-13)14-15(24)21-8-7-20-14/h7-8,11-13,22H,1-6,9-10H2,(H,21,24).
What are the key properties of 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 344.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 154805649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).