(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide

C18H30N4O2 — CID 124880075

IUPAC(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C18H30N4O2/c1-5-12(2)16(11-23)21-17(24)15-7-6-8-22(10-15)18-19-13(3)9-14(4)20-18/h9,12,15-16,23H,5-8,10-11H2,1-4H3,(H,21,24)/t12-,15+,16-/m1/s1
InChIKeyZBBGVWUNSAXLKC-UHOFOFEASA-N
MW334.46 g/mol
LogP1.83
Rot. Bonds6

About (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide

(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide (PubChem CID 124880075) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
PubChem CID124880075
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C18H30N4O2/c1-5-12(2)16(11-23)21-17(24)15-7-6-8-22(10-15)18-19-13(3)9-14(4)20-18/h9,12,15-16,23H,5-8,10-11H2,1-4H3,(H,21,24)/t12-,15+,16-/m1/s1
InChIKeyZBBGVWUNSAXLKC-UHOFOFEASA-N
XLogP1.83
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
1-(4,6-dimethylpyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3224330
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
1-(4,6-dimethylpyrimidin-2-yl)-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 108793916
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 100907382
1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71701314
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide (CID 124880075) is (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide is CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1CCCN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide?
The InChIKey is ZBBGVWUNSAXLKC-UHOFOFEASA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-12(2)16(11-23)21-17(24)15-7-6-8-22(10-15)18-19-13(3)9-14(4)20-18/h9,12,15-16,23H,5-8,10-11H2,1-4H3,(H,21,24)/t12-,15+,16-/m1/s1.
What are the key properties of (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide?
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 124880075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).