5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

C20H20N2O4S — CID 167745823

IUPAC5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C(=O)O)s4)CC3)c2c1
InChIInChI=1S/C20H20N2O4S/c1-26-13-2-3-16-14(10-13)15(11-21-16)12-6-8-22(9-7-12)19(23)17-4-5-18(27-17)20(24)25/h2-5,10-12,21H,6-9H2,1H3,(H,24,25)
InChIKeyMHYMVQLDTUDODM-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.96
Rot. Bonds4

About 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid

5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (PubChem CID 167745823) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
PubChem CID167745823
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C(=O)O)s4)CC3)c2c1
InChIInChI=1S/C20H20N2O4S/c1-26-13-2-3-16-14(10-13)15(11-21-16)12-6-8-22(9-7-12)19(23)17-4-5-18(27-17)20(24)25/h2-5,10-12,21H,6-9H2,1H3,(H,24,25)
InChIKeyMHYMVQLDTUDODM-UHFFFAOYSA-N
XLogP3.96
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid with MolForge

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Related Compounds

[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
(4-hydroxycyclohexyl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126767282
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 86833054
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543
(3-ethyl-1-methylpyrazol-4-yl)-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 126787585
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-pyrimidin-5-ylethanone
CID 100729080
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 126769292
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid (CID 167745823) is 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C(=O)O)s4)CC3)c2c1.
What is the InChIKey of 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is MHYMVQLDTUDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-26-13-2-3-16-14(10-13)15(11-21-16)12-6-8-22(9-7-12)19(23)17-4-5-18(27-17)20(24)25/h2-5,10-12,21H,6-9H2,1H3,(H,24,25).
What are the key properties of 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid?
5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 167745823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).