1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid

C18H22N2O3 — CID 119167939

IUPAC1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(CCC(=O)N3CCCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-12-4-2-6-15-13(10-19-17(12)15)7-8-16(21)20-9-3-5-14(11-20)18(22)23/h2,4,6,10,14,19H,3,5,7-9,11H2,1H3,(H,22,23)
InChIKeyJBGIFIXFUFTCPV-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 119167939) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID119167939
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(CCC(=O)N3CCCC(C(=O)O)C3)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-12-4-2-6-15-13(10-19-17(12)15)7-8-16(21)20-9-3-5-14(11-20)18(22)23/h2,4,6,10,14,19H,3,5,7-9,11H2,1H3,(H,22,23)
InChIKeyJBGIFIXFUFTCPV-UHFFFAOYSA-N
XLogP2.73
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 119176343
3-(7-methyl-1H-indol-3-yl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776604
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
CID 97216029
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid (CID 119167939) is 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid is Cc1cccc2c(CCC(=O)N3CCCC(C(=O)O)C3)c[nH]c12.
What is the InChIKey of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is JBGIFIXFUFTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-4-2-6-15-13(10-19-17(12)15)7-8-16(21)20-9-3-5-14(11-20)18(22)23/h2,4,6,10,14,19H,3,5,7-9,11H2,1H3,(H,22,23).
What are the key properties of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid?
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).