(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C15H22N4O2 — CID 66235230

IUPAC(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H22N4O2/c16-14-11-21-10-13(14)15(20)19-6-4-18(5-7-19)9-12-2-1-3-17-8-12/h1-3,8,13-14H,4-7,9-11,16H2
InChIKeyPJKWJGDWSIJVHU-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.30
Rot. Bonds3

About (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 66235230) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID66235230
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H22N4O2/c16-14-11-21-10-13(14)15(20)19-6-4-18(5-7-19)9-12-2-1-3-17-8-12/h1-3,8,13-14H,4-7,9-11,16H2
InChIKeyPJKWJGDWSIJVHU-UHFFFAOYSA-N
XLogP-0.30
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 95588252
(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 66237050
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
[(2R)-6-azaspiro[2.5]octan-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 125174143
morpholin-4-yl-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanone
CID 134075679
(E)-4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-enoic acid
CID 60949229
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
1-morpholin-4-yl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 84592394
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 66235230) is (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is PJKWJGDWSIJVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-14-11-21-10-13(14)15(20)19-6-4-18(5-7-19)9-12-2-1-3-17-8-12/h1-3,8,13-14H,4-7,9-11,16H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66235230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).