(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C15H27N3O3 — CID 61214349

IUPAC(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h12-14,16H,2-11H2,1H3
InChIKeyLYBALWJMLVARLC-UHFFFAOYSA-N
MW297.40 g/mol
LogP-0.31
Rot. Bonds4

About (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 61214349) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID61214349
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOC1CNC(C(=O)N2CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h12-14,16H,2-11H2,1H3
InChIKeyLYBALWJMLVARLC-UHFFFAOYSA-N
XLogP-0.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 61214349) is (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is COC1CNC(C(=O)N2CCN(CC3CCCO3)CC2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LYBALWJMLVARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-20-13-9-14(16-10-13)15(19)18-6-4-17(5-7-18)11-12-3-2-8-21-12/h12-14,16H,2-11H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61214349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).