(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone

C29H30N2O3 — CID 70008160

IUPAC(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1OCc1ccccc1
InChIInChI=1S/C29H30N2O3/c1-33-26-13-12-24-19-25(30-27(24)28(26)34-20-23-10-6-3-7-11-23)29(32)31-16-14-22(15-17-31)18-21-8-4-2-5-9-21/h2-13,19,22,30H,14-18,20H2,1H3
InChIKeyYYFCIIVHGGAIBO-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.85
Rot. Bonds7

About (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone

(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 70008160) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID70008160
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1OCc1ccccc1
InChIInChI=1S/C29H30N2O3/c1-33-26-13-12-24-19-25(30-27(24)28(26)34-20-23-10-6-3-7-11-23)29(32)31-16-14-22(15-17-31)18-21-8-4-2-5-9-21/h2-13,19,22,30H,14-18,20H2,1H3
InChIKeyYYFCIIVHGGAIBO-UHFFFAOYSA-N
XLogP5.85
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
(4-benzylpiperidin-1-yl)-(5,6-dimethoxy-1H-indol-3-yl)methanone
CID 113206938
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412
[4-(2-hydroxyethyl)piperidin-1-yl]-(5-hydroxy-6-phenylmethoxy-1H-indol-2-yl)methanone
CID 143770271
(4-benzylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 9204523
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119412235
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
CID 142970025
(4-benzylpiperidin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 90483542
2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
CID 139677549

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone (CID 70008160) is (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)[nH]c2c1OCc1ccccc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is YYFCIIVHGGAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-33-26-13-12-24-19-25(30-27(24)28(26)34-20-23-10-6-3-7-11-23)29(32)31-16-14-22(15-17-31)18-21-8-4-2-5-9-21/h2-13,19,22,30H,14-18,20H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone?
(4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 454.57 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6-methoxy-7-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 70008160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).