2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid

C18H24N2O2 — CID 70048755

IUPAC2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid
SMILESCCC(c1[nH]c2ccccc2c1C(=O)O)N1CCC(C)CC1
InChIInChI=1S/C18H24N2O2/c1-3-15(20-10-8-12(2)9-11-20)17-16(18(21)22)13-6-4-5-7-14(13)19-17/h4-7,12,15,19H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyCUGYJHYSBNPMFJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.05
Rot. Bonds4

About 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid

2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid (PubChem CID 70048755) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid
PubChem CID70048755
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid
SMILESCCC(c1[nH]c2ccccc2c1C(=O)O)N1CCC(C)CC1
InChIInChI=1S/C18H24N2O2/c1-3-15(20-10-8-12(2)9-11-20)17-16(18(21)22)13-6-4-5-7-14(13)19-17/h4-7,12,15,19H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyCUGYJHYSBNPMFJ-UHFFFAOYSA-N
XLogP4.05
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylpiperazin-1-yl)propyl]-1H-indole-3-carboxylic acid
CID 70042094
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
2-[cyclobutyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146312
3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 95276091
2-[cyclopentyl(methyl)amino]-1H-indole-3-carboxylic acid
CID 115146311
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
2-(3-formyl-1H-indol-2-yl)butanoic acid
CID 139949570
2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 86889608
9H-carbazole;propane-1,1-diol
CID 19846299
2-oxo-2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 69267464
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(2-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 4681970

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid?
The IUPAC name of 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid (CID 70048755) is 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid is CCC(c1[nH]c2ccccc2c1C(=O)O)N1CCC(C)CC1.
What is the InChIKey of 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid?
The InChIKey is CUGYJHYSBNPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-15(20-10-8-12(2)9-11-20)17-16(18(21)22)13-6-4-5-7-14(13)19-17/h4-7,12,15,19H,3,8-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid?
2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpiperidin-1-yl)propyl]-1H-indole-3-carboxylic acid is sourced from PubChem (CID 70048755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).