2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one

C19H34N2O3 — CID 167873034

IUPAC2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESC[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(C)(C)C1CCOCC1
InChIInChI=1S/C19H34N2O3/c1-15-14-20(17-6-12-24-13-7-17)8-9-21(15)18(22)19(2,3)16-4-10-23-11-5-16/h15-17H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyAIFDJMKJSIRSKF-OAHLLOKOSA-N
MW338.49 g/mol
LogP2.15
Rot. Bonds3

About 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one

2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one (PubChem CID 167873034) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
PubChem CID167873034
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
SMILESC[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(C)(C)C1CCOCC1
InChIInChI=1S/C19H34N2O3/c1-15-14-20(17-6-12-24-13-7-17)8-9-21(15)18(22)19(2,3)16-4-10-23-11-5-16/h15-17H,4-14H2,1-3H3/t15-/m1/s1
InChIKeyAIFDJMKJSIRSKF-OAHLLOKOSA-N
XLogP2.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one (CID 167873034) is 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one is C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(C)(C)C1CCOCC1.
What is the InChIKey of 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one?
The InChIKey is AIFDJMKJSIRSKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-15-14-20(17-6-12-24-13-7-17)8-9-21(15)18(22)19(2,3)16-4-10-23-11-5-16/h15-17H,4-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one?
2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one has a molecular weight of 338.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methyl-4-(oxan-4-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 167873034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).