[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone

C17H22N4O2 — CID 95606856

IUPAC[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-14(22)12-19-7-9-20(10-8-19)17(23)16-11-18-13-21(16)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3/t14-/m1/s1
InChIKeyJWPKYNUWKIIKKS-CQSZACIVSA-N
MW314.39 g/mol
LogP1.01
Rot. Bonds4

About [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone

[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 95606856) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID95606856
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-14(22)12-19-7-9-20(10-8-19)17(23)16-11-18-13-21(16)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3/t14-/m1/s1
InChIKeyJWPKYNUWKIIKKS-CQSZACIVSA-N
XLogP1.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695532
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 124691893
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone (CID 95606856) is [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone is C[C@@H](O)CN1CCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is JWPKYNUWKIIKKS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14(22)12-19-7-9-20(10-8-19)17(23)16-11-18-13-21(16)15-5-3-2-4-6-15/h2-6,11,13-14,22H,7-10,12H2,1H3/t14-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone?
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 95606856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).