[(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

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Related Compounds

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CID 9929833
GR 46611
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Clausine L
CID 24898872
2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-4-methoxy-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 9829805
Pyrrolopyridine, 29
CID 16720207
2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole
CID 22238481
6-Methoxy-5-oxazol-5-yl-2-phenyl-1H-indole
CID 22238483
Carbazole-3-carboxamide analog 1
CID 46871948
(2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 54576041
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
CID 507967
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxamide
CID 507980

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).