5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C16H25N3O3 — CID 164625667

IUPAC5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC[C@@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC[C@]1(C)O
InChIInChI=1S/C16H25N3O3/c1-5-11-9-19(7-6-16(11,4)22)15(21)12-8-17-13(10(2)3)18-14(12)20/h8,10-11,22H,5-7,9H2,1-4H3,(H,17,18,20)/t11-,16+/m1/s1
InChIKeyMHJXRNBDKZDZAB-BZNIZROVSA-N
MW307.39 g/mol
LogP1.52
Rot. Bonds3

About 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 164625667) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID164625667
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC[C@@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC[C@]1(C)O
InChIInChI=1S/C16H25N3O3/c1-5-11-9-19(7-6-16(11,4)22)15(21)12-8-17-13(10(2)3)18-14(12)20/h8,10-11,22H,5-7,9H2,1-4H3,(H,17,18,20)/t11-,16+/m1/s1
InChIKeyMHJXRNBDKZDZAB-BZNIZROVSA-N
XLogP1.52
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-{[(3S*,4R*)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]carbonyl}-2-isopropylpyrimidin-4(3H)-one
CID 56746799
5-{2-[(3R*,4S*)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-2-oxoethyl}-2-methylpyrimidin-4(3H)-one
CID 70765694
5-{[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72867263
2-cyclopropyl-5-{[3-ethyl-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72871697
5-{[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]carbonyl}-2-methylpyrimidin-4(3H)-one
CID 91769872
2-cyclopropyl-5-[(3S)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124182
2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124183
2-methyl-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110849118
2-methyl-5-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110856155
5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136295514
2-cyclopropyl-5-{[3-(1-hydroxycyclopropyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 138382865

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 164625667) is 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC[C@@H]1CN(C(=O)c2cnc(C(C)C)[nH]c2=O)CC[C@]1(C)O.
What is the InChIKey of 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MHJXRNBDKZDZAB-BZNIZROVSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-11-9-19(7-6-16(11,4)22)15(21)12-8-17-13(10(2)3)18-14(12)20/h8,10-11,22H,5-7,9H2,1-4H3,(H,17,18,20)/t11-,16+/m1/s1.
What are the key properties of 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 307.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 164625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).