2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone

C12H22N2O3 — CID 94794263

IUPAC2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-16-10-12(15)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyDZYDOJVLGWPXER-NSHDSACASA-N
MW242.32 g/mol
LogP-0.04
Rot. Bonds4

About 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 94794263) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID94794263
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C12H22N2O3/c1-16-10-12(15)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyDZYDOJVLGWPXER-NSHDSACASA-N
XLogP-0.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
2-(cyclopropylmethylamino)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 60963080
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone (CID 94794263) is 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is DZYDOJVLGWPXER-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-10-12(15)14-6-4-13(5-7-14)9-11-3-2-8-17-11/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 94794263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).