(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid

C16H18N2O3 — CID 122116493

IUPAC(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2O3/c1-10-13(16(20)21)3-2-8-18(10)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyHVZSBOCEJZFFKW-ZWNOBZJWSA-N
MW286.33 g/mol
LogP2.49
Rot. Bonds2

About (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122116493) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122116493
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2O3/c1-10-13(16(20)21)3-2-8-18(10)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,20,21)/t10-,13-/m1/s1
InChIKeyHVZSBOCEJZFFKW-ZWNOBZJWSA-N
XLogP2.49
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71862043
(2,6-dimethylpiperidin-1-yl)-(1H-indol-6-yl)methanone
CID 55226480
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
(2R,3R)-1-[3-[(4-fluorobenzoyl)amino]benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115413
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid (CID 122116493) is (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is HVZSBOCEJZFFKW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-13(16(20)21)3-2-8-18(10)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9-10,13,17H,2-3,8H2,1H3,(H,20,21)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122116493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).