(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone

C23H26N2O3 — CID 113206938

IUPAC(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
SMILESCOc1cc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-13-18-19(15-24-20(18)14-22(21)28-2)23(26)25-10-8-17(9-11-25)12-16-6-4-3-5-7-16/h3-7,13-15,17,24H,8-12H2,1-2H3
InChIKeyWDXWWCYVTSISSZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.28
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone

(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone (PubChem CID 113206938) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
PubChem CID113206938
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
SMILESCOc1cc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-13-18-19(15-24-20(18)14-22(21)28-2)23(26)25-10-8-17(9-11-25)12-16-6-4-3-5-7-16/h3-7,13-15,17,24H,8-12H2,1-2H3
InChIKeyWDXWWCYVTSISSZ-UHFFFAOYSA-N
XLogP4.28
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 21133920
2-[5-(4-benzylpiperidine-1-carbonyl)-6-methyl-1H-indol-3-yl]-2-oxoacetic acid
CID 20626155
1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethane-1,2-dione
CID 20763739
[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]piperidin-1-yl]-(1H-indol-3-yl)methanone
CID 54508259
1-[6-methoxy-5-[4-[(4-phosphanylphenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 142871702
1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione
CID 138530082
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(dimethylamino)ethyl]-6-methoxy-1H-indole-3-carboxamide;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159646565
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
1-(4-benzylpiperidin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 56925383
(4-benzylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 9204523
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone (CID 113206938) is (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone is COc1cc2[nH]cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2cc1OC.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone?
The InChIKey is WDXWWCYVTSISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-21-13-18-19(15-24-20(18)14-22(21)28-2)23(26)25-10-8-17(9-11-25)12-16-6-4-3-5-7-16/h3-7,13-15,17,24H,8-12H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 113206938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).