2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C12H23N3O2 — CID 54869583

IUPAC2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-9-12(16)15-6-4-14(5-7-15)10-11-3-2-8-17-11/h11,13H,2-10H2,1H3
InChIKeyDNQNIZKUEUFQEH-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds4

About 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 54869583) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID54869583
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-13-9-12(16)15-6-4-14(5-7-15)10-11-3-2-8-17-11/h11,13H,2-10H2,1H3
InChIKeyDNQNIZKUEUFQEH-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-(cyclopropylmethylamino)-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 60963080
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
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-amino-N-[2-oxo-2-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]acetamide
CID 60963316
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
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-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 54869583) is 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is CNCC(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is DNQNIZKUEUFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-9-12(16)15-6-4-14(5-7-15)10-11-3-2-8-17-11/h11,13H,2-10H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 54869583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).