[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C17H25N3O2 — CID 656229

IUPAC[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-11-15(2)13-16(12-14)18-3-5-19(6-4-18)17(21)20-7-9-22-10-8-20/h11-13H,3-10H2,1-2H3
InChIKeyLNMNXZAVKYHJKL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.88
Rot. Bonds1

About [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 656229) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID656229
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-14-11-15(2)13-16(12-14)18-3-5-19(6-4-18)17(21)20-7-9-22-10-8-20/h11-13H,3-10H2,1-2H3
InChIKeyLNMNXZAVKYHJKL-UHFFFAOYSA-N
XLogP1.88
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 656229) is [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is Cc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is LNMNXZAVKYHJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14-11-15(2)13-16(12-14)18-3-5-19(6-4-18)17(21)20-7-9-22-10-8-20/h11-13H,3-10H2,1-2H3.
What are the key properties of [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 656229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).