1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one

C15H26N4O2 — CID 43416278

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCN(CCO)CC1)n1ccnc1
InChIInChI=1S/C15H26N4O2/c1-2-3-14(19-5-4-16-13-19)12-15(21)18-8-6-17(7-9-18)10-11-20/h4-5,13-14,20H,2-3,6-12H2,1H3
InChIKeyLALURXMATKGPCN-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.75
Rot. Bonds7

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one (PubChem CID 43416278) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one
PubChem CID43416278
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one
SMILESCCCC(CC(=O)N1CCN(CCO)CC1)n1ccnc1
InChIInChI=1S/C15H26N4O2/c1-2-3-14(19-5-4-16-13-19)12-15(21)18-8-6-17(7-9-18)10-11-20/h4-5,13-14,20H,2-3,6-12H2,1H3
InChIKeyLALURXMATKGPCN-UHFFFAOYSA-N
XLogP0.75
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3-imidazol-1-ylhexan-1-one
CID 62916232
3-imidazol-1-yl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]hexan-1-one
CID 6224196
1-(3-imidazol-1-ylhexanoyl)pyrrolidine-3-carboxylic acid
CID 63030589
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
N-cyclobutyl-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
CID 102867395
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
4-(3-imidazol-1-ylhexanoyl)-3-methylpiperazin-2-one
CID 63374326
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
1-hexan-3-ylimidazole
CID 54145075
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one (CID 43416278) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one is CCCC(CC(=O)N1CCN(CCO)CC1)n1ccnc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one?
The InChIKey is LALURXMATKGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-2-3-14(19-5-4-16-13-19)12-15(21)18-8-6-17(7-9-18)10-11-20/h4-5,13-14,20H,2-3,6-12H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one is sourced from PubChem (CID 43416278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).