imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

C13H20N4O2 — CID 9115551

IUPACimidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(C[C@@H]2CCCO2)CC1)n1ccnc1
InChIInChI=1S/C13H20N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h3-4,11-12H,1-2,5-10H2/t12-/m0/s1
InChIKeyTZMZDLPZFIROIB-LBPRGKRZSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds2

About imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 9115551) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID9115551
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nameimidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(C[C@@H]2CCCO2)CC1)n1ccnc1
InChIInChI=1S/C13H20N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h3-4,11-12H,1-2,5-10H2/t12-/m0/s1
InChIKeyTZMZDLPZFIROIB-LBPRGKRZSA-N
XLogP0.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(imidazole-1-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 112723485
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
CID 81267870
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
CID 125158263
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (CID 9115551) is imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is O=C(N1CCN(C[C@@H]2CCCO2)CC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is TZMZDLPZFIROIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13(17-4-3-14-11-17)16-7-5-15(6-8-16)10-12-2-1-9-19-12/h3-4,11-12H,1-2,5-10H2/t12-/m0/s1.
What are the key properties of imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9115551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).