(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide

C15H19F3N4O2 — CID 99754111

IUPAC(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-8-13(20-9-19-12)22-5-3-10(4-6-22)21-14(23)11-2-1-7-24-11/h8-11H,1-7H2,(H,21,23)/t11-/m0/s1
InChIKeyLSZRKBUUQUPXCW-NSHDSACASA-N
MW344.34 g/mol
LogP1.76
Rot. Bonds3

About (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide

(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 99754111) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
PubChem CID99754111
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C15H19F3N4O2/c16-15(17,18)12-8-13(20-9-19-12)22-5-3-10(4-6-22)21-14(23)11-2-1-7-24-11/h8-11H,1-7H2,(H,21,23)/t11-/m0/s1
InChIKeyLSZRKBUUQUPXCW-NSHDSACASA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide (CID 99754111) is (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is LSZRKBUUQUPXCW-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F3N4O2/c16-15(17,18)12-8-13(20-9-19-12)22-5-3-10(4-6-22)21-14(23)11-2-1-7-24-11/h8-11H,1-7H2,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 99754111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).