(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone

C16H23N3O2 — CID 66240985

IUPAC(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESNC1COCC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-15-12-21-11-14(15)16(20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,17H2
InChIKeyYKENOTSZHUXIOV-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.30
Rot. Bonds3

About (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone

(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone (PubChem CID 66240985) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
PubChem CID66240985
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESNC1COCC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c17-15-12-21-11-14(15)16(20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,17H2
InChIKeyYKENOTSZHUXIOV-UHFFFAOYSA-N
XLogP0.30
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 66235230
(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 66237050
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
(4-benzyl-1,4-diazepan-1-yl)-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584809
(1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1149453
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
(4-benzylpiperazin-1-yl)-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 9071498
(4-benzylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 10316388
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(1R,2S,3R,4R)-3-(4-benzylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99872547
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone (CID 66240985) is (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone is NC1COCC1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is YKENOTSZHUXIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-12-21-11-14(15)16(20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,17H2.
What are the key properties of (4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone?
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.30, 3 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-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 66240985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).