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

C16H18N2O3 — CID 40816462

IUPAC(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N2O3/c19-15(18-7-3-4-11(10-18)16(20)21)8-12-9-17-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,17H,3-4,7-8,10H2,(H,20,21)/t11-/m1/s1
InChIKeySKNWPQGTUNBHPR-LLVKDONJSA-N
MW286.33 g/mol
LogP2.03
Rot. Bonds3

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

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 40816462) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID40816462
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H18N2O3/c19-15(18-7-3-4-11(10-18)16(20)21)8-12-9-17-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,17H,3-4,7-8,10H2,(H,20,21)/t11-/m1/s1
InChIKeySKNWPQGTUNBHPR-LLVKDONJSA-N
XLogP2.03
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid (CID 40816462) is (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is SKNWPQGTUNBHPR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18-7-3-4-11(10-18)16(20)21)8-12-9-17-14-6-2-1-5-13(12)14/h1-2,5-6,9,11,17H,3-4,7-8,10H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 40816462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).