1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid

C18H22N2O3 — CID 119176343

IUPAC1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1cccc2c(CCC(=O)N3CCCCC3C(=O)O)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-12-5-4-6-14-13(11-19-17(12)14)8-9-16(21)20-10-3-2-7-15(20)18(22)23/h4-6,11,15,19H,2-3,7-10H2,1H3,(H,22,23)
InChIKeyFZJZXEDJRMBTHI-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid

1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid (PubChem CID 119176343) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
PubChem CID119176343
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
SMILESCc1cccc2c(CCC(=O)N3CCCCC3C(=O)O)c[nH]c12
InChIInChI=1S/C18H22N2O3/c1-12-5-4-6-14-13(11-19-17(12)14)8-9-16(21)20-10-3-2-7-15(20)18(22)23/h4-6,11,15,19H,2-3,7-10H2,1H3,(H,22,23)
InChIKeyFZJZXEDJRMBTHI-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167939
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 99698712
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid (CID 119176343) is 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid is Cc1cccc2c(CCC(=O)N3CCCCC3C(=O)O)c[nH]c12.
What is the InChIKey of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is FZJZXEDJRMBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-5-4-6-14-13(11-19-17(12)14)8-9-16(21)20-10-3-2-7-15(20)18(22)23/h4-6,11,15,19H,2-3,7-10H2,1H3,(H,22,23).
What are the key properties of 1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid?
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.87, 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-2-carboxylic acid is sourced from PubChem (CID 119176343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).