(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C15H19N5O2 — CID 129474214

IUPAC(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(O)c2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H19N5O2/c1-18-5-6-20(10-13(18)14-17-3-4-19(14)2)15(22)11-7-12(21)9-16-8-11/h3-4,7-9,13,21H,5-6,10H2,1-2H3/t13-/m0/s1
InChIKeyDNDFZRQNPNNFLA-ZDUSSCGKSA-N
MW301.35 g/mol
LogP0.65
Rot. Bonds2

About (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 129474214) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID129474214
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cncc(O)c2)C[C@H]1c1nccn1C
InChIInChI=1S/C15H19N5O2/c1-18-5-6-20(10-13(18)14-17-3-4-19(14)2)15(22)11-7-12(21)9-16-8-11/h3-4,7-9,13,21H,5-6,10H2,1-2H3/t13-/m0/s1
InChIKeyDNDFZRQNPNNFLA-ZDUSSCGKSA-N
XLogP0.65
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
1H-indol-5-yl-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478992
(3-bromo-4-methoxyphenyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166229327
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
(4-ethyl-1,3-thiazol-5-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129006466
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 129474214) is (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is CN1CCN(C(=O)c2cncc(O)c2)C[C@H]1c1nccn1C.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is DNDFZRQNPNNFLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-18-5-6-20(10-13(18)14-17-3-4-19(14)2)15(22)11-7-12(21)9-16-8-11/h3-4,7-9,13,21H,5-6,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129474214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).