(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone

C24H28N2O5 — CID 139988539

IUPAC(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1cc(CC2CCCN(C(=O)c3cc4ccc(O)cc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O5/c1-29-21-10-16(11-22(30-2)23(21)31-3)9-15-5-4-8-26(14-15)24(28)20-12-17-6-7-18(27)13-19(17)25-20/h6-7,10-13,15,25,27H,4-5,8-9,14H2,1-3H3
InChIKeyHLJOXASYEJTIJG-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.99
Rot. Bonds6

About (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone

(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 139988539) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone
PubChem CID139988539
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone
SMILESCOc1cc(CC2CCCN(C(=O)c3cc4ccc(O)cc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O5/c1-29-21-10-16(11-22(30-2)23(21)31-3)9-15-5-4-8-26(14-15)24(28)20-12-17-6-7-18(27)13-19(17)25-20/h6-7,10-13,15,25,27H,4-5,8-9,14H2,1-3H3
InChIKeyHLJOXASYEJTIJG-UHFFFAOYSA-N
XLogP3.99
TPSA84.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
ethyl (3R)-1-(5,6-dimethoxy-1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 7578621
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
1-(6-butoxy-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 71895157
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone (CID 139988539) is (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone is COc1cc(CC2CCCN(C(=O)c3cc4ccc(O)cc4[nH]3)C2)cc(OC)c1OC.
What is the InChIKey of (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is HLJOXASYEJTIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-21-10-16(11-22(30-2)23(21)31-3)9-15-5-4-8-26(14-15)24(28)20-12-17-6-7-18(27)13-19(17)25-20/h6-7,10-13,15,25,27H,4-5,8-9,14H2,1-3H3.
What are the key properties of (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone?
(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 139988539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).