(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid

C19H23N3O4 — CID 167763035

IUPAC(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cc(C)c3ccccc32)C1
InChIInChI=1S/C19H23N3O4/c1-12-9-21(15-6-4-3-5-14(12)15)11-17(23)22-10-13(18(24)20-2)7-8-16(22)19(25)26/h3-6,9,13,16H,7-8,10-11H2,1-2H3,(H,20,24)(H,25,26)/t13-,16-/m0/s1
InChIKeyFZBKSLACKFTONF-BBRMVZONSA-N
MW357.41 g/mol
LogP1.39
Rot. Bonds4

About (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid

(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 167763035) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID167763035
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cc(C)c3ccccc32)C1
InChIInChI=1S/C19H23N3O4/c1-12-9-21(15-6-4-3-5-14(12)15)11-17(23)22-10-13(18(24)20-2)7-8-16(22)19(25)26/h3-6,9,13,16H,7-8,10-11H2,1-2H3,(H,20,24)(H,25,26)/t13-,16-/m0/s1
InChIKeyFZBKSLACKFTONF-BBRMVZONSA-N
XLogP1.39
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid (CID 167763035) is (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid is CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cn2cc(C)c3ccccc32)C1.
What is the InChIKey of (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is FZBKSLACKFTONF-BBRMVZONSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-9-21(15-6-4-3-5-14(12)15)11-17(23)22-10-13(18(24)20-2)7-8-16(22)19(25)26/h3-6,9,13,16H,7-8,10-11H2,1-2H3,(H,20,24)(H,25,26)/t13-,16-/m0/s1.
What are the key properties of (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid?
(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 167763035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).