4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid

C15H17ClN2O2 — CID 22312003

IUPAC4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H17ClN2O2/c1-9-14(10-4-6-18(7-5-10)15(19)20)12-8-11(16)2-3-13(12)17-9/h2-3,8,10,17H,4-7H2,1H3,(H,19,20)
InChIKeyOPWRGPXIYZMQLQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.99
Rot. Bonds1

About 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid

4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid (PubChem CID 22312003) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
PubChem CID22312003
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1C1CCN(C(=O)O)CC1
InChIInChI=1S/C15H17ClN2O2/c1-9-14(10-4-6-18(7-5-10)15(19)20)12-8-11(16)2-3-13(12)17-9/h2-3,8,10,17H,4-7H2,1H3,(H,19,20)
InChIKeyOPWRGPXIYZMQLQ-UHFFFAOYSA-N
XLogP3.99
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087318
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
4-(2-bromo-3-ethyl-1H-indol-5-yl)piperidine-1-carboxylic acid
CID 146575356
4-(5-chloro-1-cyclopropylindol-3-yl)piperidine-1-carboxylic acid
CID 139510841
5-chloro-3-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-2,3,5,6-tetraoxocyclohexyl]-1H-indole-2-carboxylic acid
CID 90940249
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
9-chloro-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole-2-carboxylic acid
CID 90294086
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3-chloro-6-methyl-9H-carbazole;ethane
CID 145273604

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid (CID 22312003) is 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid is Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is OPWRGPXIYZMQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-14(10-4-6-18(7-5-10)15(19)20)12-8-11(16)2-3-13(12)17-9/h2-3,8,10,17H,4-7H2,1H3,(H,19,20).
What are the key properties of 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid?
4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 292.77 g/mol, XLogP of 3.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methyl-1H-indol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22312003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).