1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one

C24H28N4O3 — CID 45487316

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
SMILESCc1nn(C)c2cccc(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12
InChIInChI=1S/C24H28N4O3/c1-16-15-27(24(30)19-9-6-5-7-10-19)13-14-28(16)23(29)18(3)31-21-12-8-11-20-22(21)17(2)25-26(20)4/h5-12,16,18H,13-15H2,1-4H3/t16-,18?/m1/s1
InChIKeyUHTMFBRGCDQTSQ-PYUWXLGESA-N
MW420.51 g/mol
LogP3.02
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one (PubChem CID 45487316) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
PubChem CID45487316
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
SMILESCc1nn(C)c2cccc(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12
InChIInChI=1S/C24H28N4O3/c1-16-15-27(24(30)19-9-6-5-7-10-19)13-14-28(16)23(29)18(3)31-21-12-8-11-20-22(21)17(2)25-26(20)4/h5-12,16,18H,13-15H2,1-4H3/t16-,18?/m1/s1
InChIKeyUHTMFBRGCDQTSQ-PYUWXLGESA-N
XLogP3.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one (CID 45487316) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one is Cc1nn(C)c2cccc(OC(C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one?
The InChIKey is UHTMFBRGCDQTSQ-PYUWXLGESA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-15-27(24(30)19-9-6-5-7-10-19)13-14-28(16)23(29)18(3)31-21-12-8-11-20-22(21)17(2)25-26(20)4/h5-12,16,18H,13-15H2,1-4H3/t16-,18?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one has a molecular weight of 420.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one is sourced from PubChem (CID 45487316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).