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

C15H19F3N4O2 — CID 124760757

IUPAC(3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CCOC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-7-13(20-9-19-12)22-4-1-11(2-5-22)21-14(23)10-3-6-24-8-10/h7,9-11H,1-6,8H2,(H,21,23)/t10-/m0/s1
InChIKeyPBXQKAUKUKKECV-JTQLQIEISA-N
MW344.34 g/mol
LogP1.62
Rot. Bonds3

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

(3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 124760757) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID124760757
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name(3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CCOC1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-7-13(20-9-19-12)22-4-1-11(2-5-22)21-14(23)10-3-6-24-8-10/h7,9-11H,1-6,8H2,(H,21,23)/t10-/m0/s1
InChIKeyPBXQKAUKUKKECV-JTQLQIEISA-N
XLogP1.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.62
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
1-(2-Methoxyethyl)-3-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)urea
CID 91631409
N-[rel-(3R,4S)-1-(2-amino-6-methyl-4-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72883732
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
3-Methyl-1-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one
CID 47081009
4,4-difluoro-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-L-prolinamide
CID 70753717
4,4-difluoro-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78081559
N-(3-methoxypropyl)-4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 91631547
N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)tetrahydrofuran-3-carboxamide
CID 91817782
N-{1-[6-(Trifluoromethyl)pyrimidin-4-YL]piperidin-4-YL}oxolane-2-carboxamide
CID 91892408

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide (CID 124760757) is (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is PBXQKAUKUKKECV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)12-7-13(20-9-19-12)22-4-1-11(2-5-22)21-14(23)10-3-6-24-8-10/h7,9-11H,1-6,8H2,(H,21,23)/t10-/m0/s1.
What are the key properties of (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide?
(3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 124760757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).