N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C16H20F4N4O2 — CID 165432196

IUPACN-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCOC1
InChIInChI=1S/C16H20F4N4O2/c17-15(9-21-14(25)11-1-6-26-8-11)2-4-24(5-3-15)13-7-12(16(18,19)20)22-10-23-13/h7,10-11H,1-6,8-9H2,(H,21,25)
InChIKeyCDKIXDQYYXSJJD-UHFFFAOYSA-N
MW376.35 g/mol
LogP1.96
Rot. Bonds4

About N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 165432196) has the molecular formula C16H20F4N4O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID165432196
Molecular FormulaC16H20F4N4O2
Molecular Weight376.35 g/mol
Exact Mass376.15
IUPAC NameN-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCOC1
InChIInChI=1S/C16H20F4N4O2/c17-15(9-21-14(25)11-1-6-26-8-11)2-4-24(5-3-15)13-7-12(16(18,19)20)22-10-23-13/h7,10-11H,1-6,8-9H2,(H,21,25)
InChIKeyCDKIXDQYYXSJJD-UHFFFAOYSA-N
XLogP1.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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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
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 91809782
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
[3-(Aminomethyl)pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 69180381
2-[6-(Trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 121314055
Pyrrolidin-1-yl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 126614231
(2R)-5-amino-2-ethyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pentan-1-one
CID 129171682
N-[3-(diethylamino)propyl]-1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 60502913
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-N-pentylpiperidine-4-carboxamide
CID 87014676
N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)tetrahydrofuran-3-carboxamide
CID 91817782

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 165432196) is N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(c2cc(C(F)(F)F)ncn2)CC1)C1CCOC1.
What is the InChIKey of N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is CDKIXDQYYXSJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N4O2/c17-15(9-21-14(25)11-1-6-26-8-11)2-4-24(5-3-15)13-7-12(16(18,19)20)22-10-23-13/h7,10-11H,1-6,8-9H2,(H,21,25).
What are the key properties of N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 165432196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).