1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C23H28N2O3 — CID 36561721

IUPAC1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,20-7-5-4-6-8-20)22(27)25-15-13-24(14-16-25)21(26)19-11-9-18(10-12-19)17-28-3/h4-12H,13-17H2,1-3H3
InChIKeyDLXNNASAZVKWEO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 36561721) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID36561721
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCOCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,20-7-5-4-6-8-20)22(27)25-15-13-24(14-16-25)21(26)19-11-9-18(10-12-19)17-28-3/h4-12H,13-17H2,1-3H3
InChIKeyDLXNNASAZVKWEO-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 36561721) is 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is COCc1ccc(C(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is DLXNNASAZVKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,20-7-5-4-6-8-20)22(27)25-15-13-24(14-16-25)21(26)19-11-9-18(10-12-19)17-28-3/h4-12H,13-17H2,1-3H3.
What are the key properties of 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 36561721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).