1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

C16H18N2O3 — CID 104595380

IUPAC1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-4-5-9-18(16)14(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyXYHBWTZFUIXUMY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.64
Rot. Bonds2

About 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595380) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595380
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21)8-4-5-9-18(16)14(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,20,21)
InChIKeyXYHBWTZFUIXUMY-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indole-2-carbonyl)-2-methylpiperidine-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

Related Compounds

(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1-(4-bromo-1H-pyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595477
1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594600
1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626984
ethane;1H-indole-2-carboxylic acid
CID 91052830
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95718598
1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594637
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2,2-dimethylmorpholin-4-yl)-(1H-indol-2-yl)methanone
CID 35020495

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104595380) is 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is XYHBWTZFUIXUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(20)21)8-4-5-9-18(16)14(19)13-10-11-6-2-3-7-12(11)17-13/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).