(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid

C16H20N2O3 — CID 69275495

IUPAC(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-11-5-4-8-17(10-11)15(19)14-9-12-6-2-3-7-13(12)18(14)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyLPMDTIAOSKCYEP-RISCZKNCSA-N
MW288.35 g/mol
LogP2.35
Rot. Bonds1

About (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid

(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid (PubChem CID 69275495) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
PubChem CID69275495
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-11-5-4-8-17(10-11)15(19)14-9-12-6-2-3-7-13(12)18(14)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1
InChIKeyLPMDTIAOSKCYEP-RISCZKNCSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindole-1-carboxylic acid
CID 69273581
(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 11617471
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
CID 69272501
[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 30766849
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 110023787
3-(3-methylpiperidine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677782
(1-benzoyl-2,3-dihydroindol-2-yl)-morpholin-4-ylmethanone
CID 20954563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid (CID 69275495) is (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid is C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(=O)O)C1.
What is the InChIKey of (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is LPMDTIAOSKCYEP-RISCZKNCSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-4-8-17(10-11)15(19)14-9-12-6-2-3-7-13(12)18(14)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)/t11-,14+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid?
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 69275495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).