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

C17H20N2O3 — CID 51974268

IUPAC(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1cc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)19(12)11-16(20)18-8-4-6-14(10-18)17(21)22/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyANVPVSMGQOIKEV-CQSZACIVSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds3

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

(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 51974268) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID51974268
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1cc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)19(12)11-16(20)18-8-4-6-14(10-18)17(21)22/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyANVPVSMGQOIKEV-CQSZACIVSA-N
XLogP2.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 29133842
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
2-(2-methylindol-1-yl)-1-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 40683304
2-(2-methylindol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 46448492
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 46986943
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 3573553
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 17489605
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
(3S)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81125681
1-[2-(2-methylindol-1-yl)acetyl]-1,4-diazepan-5-one
CID 62046950

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid (CID 51974268) is (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid is Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ANVPVSMGQOIKEV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-9-13-5-2-3-7-15(13)19(12)11-16(20)18-8-4-6-14(10-18)17(21)22/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 51974268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).