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

C17H20N2O4 — CID 119176125

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(CC(=O)N3CCCCC3C(=O)O)c2c1
InChIInChI=1S/C17H20N2O4/c1-23-12-5-6-14-13(9-12)11(10-18-14)8-16(20)19-7-3-2-4-15(19)17(21)22/h5-6,9-10,15,18H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyAMUGCSUOWXVAMW-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.18
Rot. Bonds4

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

1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 119176125) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID119176125
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(CC(=O)N3CCCCC3C(=O)O)c2c1
InChIInChI=1S/C17H20N2O4/c1-23-12-5-6-14-13(9-12)11(10-18-14)8-16(20)19-7-3-2-4-15(19)17(21)22/h5-6,9-10,15,18H,2-4,7-8H2,1H3,(H,21,22)
InChIKeyAMUGCSUOWXVAMW-UHFFFAOYSA-N
XLogP2.18
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
(3S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687229
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989
(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid (CID 119176125) is 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid is COc1ccc2[nH]cc(CC(=O)N3CCCCC3C(=O)O)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is AMUGCSUOWXVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-12-5-6-14-13(9-12)11(10-18-14)8-16(20)19-7-3-2-4-15(19)17(21)22/h5-6,9-10,15,18H,2-4,7-8H2,1H3,(H,21,22).
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid?
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).