(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide

C14H19FN4O2 — CID 128977647

IUPAC(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O2/c15-10-7-17-14(18-8-10)19-4-1-9(2-5-19)12-11(13(16)20)3-6-21-12/h7-9,11-12H,1-6H2,(H2,16,20)/t11-,12+/m0/s1
InChIKeyWKZSZIGRIOFNPD-NWDGAFQWSA-N
MW294.33 g/mol
LogP0.72
Rot. Bonds3

About (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128977647) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128977647
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H19FN4O2/c15-10-7-17-14(18-8-10)19-4-1-9(2-5-19)12-11(13(16)20)3-6-21-12/h7-9,11-12H,1-6H2,(H2,16,20)/t11-,12+/m0/s1
InChIKeyWKZSZIGRIOFNPD-NWDGAFQWSA-N
XLogP0.72
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977579
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167800689
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723
5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
CID 138050657
(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977581
[(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367107
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 175026112
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 167949273
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide (CID 128977647) is (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide is NC(=O)[C@H]1CCO[C@@H]1C1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is WKZSZIGRIOFNPD-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19FN4O2/c15-10-7-17-14(18-8-10)19-4-1-9(2-5-19)12-11(13(16)20)3-6-21-12/h7-9,11-12H,1-6H2,(H2,16,20)/t11-,12+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128977647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).