1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid

C17H20N2O3 — CID 120512524

IUPAC1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H20N2O3/c20-16(19-9-1-2-14(11-19)17(21)22)6-4-12-3-5-15-13(10-12)7-8-18-15/h3,5,7-8,10,14,18H,1-2,4,6,9,11H2,(H,21,22)
InChIKeyFBMDXUDGKNPACH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.42
Rot. Bonds4

About 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 120512524) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID120512524
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H20N2O3/c20-16(19-9-1-2-14(11-19)17(21)22)6-4-12-3-5-15-13(10-12)7-8-18-15/h3,5,7-8,10,14,18H,1-2,4,6,9,11H2,(H,21,22)
InChIKeyFBMDXUDGKNPACH-UHFFFAOYSA-N
XLogP2.42
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperidine-3-carboxylic acid
CID 126786883
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
1-[3-(1H-indol-5-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513106
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
(3S)-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 119173608
1-[3-[3-(methylcarbamoyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 120512559
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid (CID 120512524) is 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is FBMDXUDGKNPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-16(19-9-1-2-14(11-19)17(21)22)6-4-12-3-5-15-13(10-12)7-8-18-15/h3,5,7-8,10,14,18H,1-2,4,6,9,11H2,(H,21,22).
What are the key properties of 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid?
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120512524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).