3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid

C15H21N3O3 — CID 62271743

IUPAC3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(c3ccccn3)CC2)CCOC1
InChIInChI=1S/C15H21N3O3/c19-14(20)15(4-10-21-12-15)11-17-6-8-18(9-7-17)13-3-1-2-5-16-13/h1-3,5H,4,6-12H2,(H,19,20)
InChIKeyQGOPNIJVNAXZQA-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.69
Rot. Bonds4

About 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 62271743) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID62271743
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCN(c3ccccn3)CC2)CCOC1
InChIInChI=1S/C15H21N3O3/c19-14(20)15(4-10-21-12-15)11-17-6-8-18(9-7-17)13-3-1-2-5-16-13/h1-3,5H,4,6-12H2,(H,19,20)
InChIKeyQGOPNIJVNAXZQA-UHFFFAOYSA-N
XLogP0.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271935
N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263035
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
methyl 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylate
CID 167913462
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid (CID 62271743) is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN2CCN(c3ccccn3)CC2)CCOC1.
What is the InChIKey of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is QGOPNIJVNAXZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)15(4-10-21-12-15)11-17-6-8-18(9-7-17)13-3-1-2-5-16-13/h1-3,5H,4,6-12H2,(H,19,20).
What are the key properties of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).