[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone

C17H23N5O2 — CID 95613153

IUPAC[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-15(23)12-20-7-9-21(10-8-20)17(24)14-3-4-19-16(11-14)22-6-5-18-13-22/h3-6,11,13,15,23H,2,7-10,12H2,1H3/t15-/m0/s1
InChIKeyXIZMGLDEAKDVEO-HNNXBMFYSA-N
MW329.40 g/mol
LogP0.80
Rot. Bonds5

About [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone

[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone (PubChem CID 95613153) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
PubChem CID95613153
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESCC[C@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-2-15(23)12-20-7-9-21(10-8-20)17(24)14-3-4-19-16(11-14)22-6-5-18-13-22/h3-6,11,13,15,23H,2,7-10,12H2,1H3/t15-/m0/s1
InChIKeyXIZMGLDEAKDVEO-HNNXBMFYSA-N
XLogP0.80
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone with MolForge

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 87011035
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 136566028
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
(3,4-difluorophenyl)-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 90539451

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone (CID 95613153) is [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone is CC[C@H](O)CN1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1.
What is the InChIKey of [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
The InChIKey is XIZMGLDEAKDVEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-15(23)12-20-7-9-21(10-8-20)17(24)14-3-4-19-16(11-14)22-6-5-18-13-22/h3-6,11,13,15,23H,2,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone?
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone has a molecular weight of 329.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 95613153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).