1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid

C16H20N2O3 — CID 104597842

IUPAC1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)9-4-5-10-18(16)15(21)17-11-8-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyLZWMFVPAEOYCNL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds1

About 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597842) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104597842
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)9-4-5-10-18(16)15(21)17-11-8-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyLZWMFVPAEOYCNL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
CID 166266296
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107843053
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104597842) is 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is LZWMFVPAEOYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(14(19)20)9-4-5-10-18(16)15(21)17-11-8-12-6-2-3-7-13(12)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).