1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one

C21H23ClN2O3 — CID 45485380

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H23ClN2O3/c1-15-14-23(21(26)17-7-4-3-5-8-17)11-12-24(15)20(25)16(2)27-19-10-6-9-18(22)13-19/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16?/m1/s1
InChIKeyNAUPLVVOKAWHQB-AAFJCEBUSA-N
MW386.88 g/mol
LogP3.48
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one (PubChem CID 45485380) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one
PubChem CID45485380
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H23ClN2O3/c1-15-14-23(21(26)17-7-4-3-5-8-17)11-12-24(15)20(25)16(2)27-19-10-6-9-18(22)13-19/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16?/m1/s1
InChIKeyNAUPLVVOKAWHQB-AAFJCEBUSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one (CID 45485380) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one is CC(Oc1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one?
The InChIKey is NAUPLVVOKAWHQB-AAFJCEBUSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15-14-23(21(26)17-7-4-3-5-8-17)11-12-24(15)20(25)16(2)27-19-10-6-9-18(22)13-19/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one has a molecular weight of 386.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one is sourced from PubChem (CID 45485380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).