[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone

C23H27N3O2 — CID 10091017

IUPAC[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H27N3O2/c1-16-14-26(17(2)13-25(16)15-18-7-5-4-6-8-18)23(27)20-11-19-9-10-24-21(19)12-22(20)28-3/h4-12,16-17,24H,13-15H2,1-3H3/t16-,17+/m0/s1
InChIKeyWSNFPBCSELMSKA-DLBZAZTESA-N
MW377.49 g/mol
LogP3.91
Rot. Bonds4

About [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone

[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone (PubChem CID 10091017) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone
PubChem CID10091017
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone
SMILESCOc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C23H27N3O2/c1-16-14-26(17(2)13-25(16)15-18-7-5-4-6-8-18)23(27)20-11-19-9-10-24-21(19)12-22(20)28-3/h4-12,16-17,24H,13-15H2,1-3H3/t16-,17+/m0/s1
InChIKeyWSNFPBCSELMSKA-DLBZAZTESA-N
XLogP3.91
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone?
The IUPAC name of [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone (CID 10091017) is [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone.
What is the SMILES notation for [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone?
The canonical SMILES for [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone is COc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone?
The InChIKey is WSNFPBCSELMSKA-DLBZAZTESA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-14-26(17(2)13-25(16)15-18-7-5-4-6-8-18)23(27)20-11-19-9-10-24-21(19)12-22(20)28-3/h4-12,16-17,24H,13-15H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone?
[(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl]-(6-methoxy-1H-indol-5-yl)methanone is sourced from PubChem (CID 10091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).