oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C16H21F3N4O2 — CID 126889606

IUPACoxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-9-14(21-10-20-13)22-12-1-5-23(6-2-12)15(24)11-3-7-25-8-4-11/h9-12H,1-8H2,(H,20,21,22)
InChIKeyPIXOWSLKYKXPSC-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.32
Rot. Bonds3

About oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889606) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889606
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Nameoxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-9-14(21-10-20-13)22-12-1-5-23(6-2-12)15(24)11-3-7-25-8-4-11/h9-12H,1-8H2,(H,20,21,22)
InChIKeyPIXOWSLKYKXPSC-UHFFFAOYSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
N-[(oxolan-2-yl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
1-(2-Methoxyethyl)-3-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)urea
CID 91631409
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 91809782
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}cyclobutanecarboxamide
CID 91892424
N-Cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 56593003
N-(3-ethoxypropyl)-1-(4-methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 53102145
N-[rel-(3R,4S)-1-(2-amino-6-methyl-4-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72883732
N-[(1R,3S)-3-isopropyl-3-(4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-ylcarbonyl)cyclopentyl]-3-methyltetrahydro-2H-pyran-4-amine
CID 11641573
[(3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91594432
Ethyl 1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 118020322

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889606) is oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is PIXOWSLKYKXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)13-9-14(21-10-20-13)22-12-1-5-23(6-2-12)15(24)11-3-7-25-8-4-11/h9-12H,1-8H2,(H,20,21,22).
What are the key properties of oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 358.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).