(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

C12H23N3O2 — CID 113315084

IUPAC(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCN(C)CC2C)C1
InChIInChI=1S/C12H23N3O2/c1-9-8-14(2)4-5-15(9)12(16)11-6-10(17-3)7-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyPRDCZWLPUMOBNV-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 113315084) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID113315084
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)N2CCN(C)CC2C)C1
InChIInChI=1S/C12H23N3O2/c1-9-8-14(2)4-5-15(9)12(16)11-6-10(17-3)7-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyPRDCZWLPUMOBNV-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone (CID 113315084) is (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)N2CCN(C)CC2C)C1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is PRDCZWLPUMOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-8-14(2)4-5-15(9)12(16)11-6-10(17-3)7-13-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 113315084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).