(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C16H23N3O2 — CID 66238290

IUPAC(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2COCC2N)CC1
InChIInChI=1S/C16H23N3O2/c1-12-4-2-3-5-15(12)18-6-8-19(9-7-18)16(20)13-10-21-11-14(13)17/h2-5,13-14H,6-11,17H2,1H3
InChIKeyFNLBSOYCKQTCPB-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.62
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 66238290) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID66238290
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2COCC2N)CC1
InChIInChI=1S/C16H23N3O2/c1-12-4-2-3-5-15(12)18-6-8-19(9-7-18)16(20)13-10-21-11-14(13)17/h2-5,13-14H,6-11,17H2,1H3
InChIKeyFNLBSOYCKQTCPB-UHFFFAOYSA-N
XLogP0.62
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111062
[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63716005
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
CID 42680025
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[(3R,6S)-6-amino-1-(oxan-4-yl)azepan-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 165422291
1-(2-methylphenyl)-4-(oxetan-3-yl)piperazine
CID 138525322

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 66238290) is (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)C2COCC2N)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is FNLBSOYCKQTCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-2-3-5-15(12)18-6-8-19(9-7-18)16(20)13-10-21-11-14(13)17/h2-5,13-14H,6-11,17H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66238290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).