[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C15H23N3O2S — CID 66265218

IUPAC[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-16-14-10-20-9-13(14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-11-12/h2,7,11,13-14,16H,3-6,8-10H2,1H3
InChIKeyVKMXHQBYROWQLL-UHFFFAOYSA-N
MW309.43 g/mol
LogP0.63
Rot. Bonds4

About [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 66265218) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID66265218
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCNC1COCC1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-16-14-10-20-9-13(14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-11-12/h2,7,11,13-14,16H,3-6,8-10H2,1H3
InChIKeyVKMXHQBYROWQLL-UHFFFAOYSA-N
XLogP0.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(methylamino)oxolan-3-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 66266429
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 66265185
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
[4-(methylamino)oxolan-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 66267143
[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 47030913
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 66265218) is [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CNC1COCC1C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VKMXHQBYROWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-16-14-10-20-9-13(14)15(19)18-5-3-17(4-6-18)8-12-2-7-21-11-12/h2,7,11,13-14,16H,3-6,8-10H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 309.43 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66265218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).