[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C16H24N4O4 — CID 70750730

IUPAC[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCC[C@@]1(O)CCN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@H]1O
InChIInChI=1S/C16H24N4O4/c1-2-16(23)3-4-20(11-13(16)21)14(22)12-9-17-15(18-10-12)19-5-7-24-8-6-19/h9-10,13,21,23H,2-8,11H2,1H3/t13-,16-/m1/s1
InChIKeyIGPNMLZKMKSLRG-CZUORRHYSA-N
MW336.39 g/mol
LogP-0.34
Rot. Bonds3

About [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 70750730) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID70750730
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCC[C@@]1(O)CCN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@H]1O
InChIInChI=1S/C16H24N4O4/c1-2-16(23)3-4-20(11-13(16)21)14(22)12-9-17-15(18-10-12)19-5-7-24-8-6-19/h9-10,13,21,23H,2-8,11H2,1H3/t13-,16-/m1/s1
InChIKeyIGPNMLZKMKSLRG-CZUORRHYSA-N
XLogP-0.34
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 162633173
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(furan-3-yl)methanone
CID 70751006
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CID 70758115
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
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CID 20959426
6-[(3R,4R)-4-ethyl-3,4-dihydroxypiperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70771275
(1R,5S)-6-methyl-3-(2-morpholin-4-ylpyrimidine-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118264
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N-ethyl-N-(1-methylpiperidin-4-yl)-2-morpholin-4-ylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 70750730) is [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is CC[C@@]1(O)CCN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@H]1O.
What is the InChIKey of [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is IGPNMLZKMKSLRG-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-2-16(23)3-4-20(11-13(16)21)14(22)12-9-17-15(18-10-12)19-5-7-24-8-6-19/h9-10,13,21,23H,2-8,11H2,1H3/t13-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70750730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).