6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid

C20H23NO3 — CID 122113865

IUPAC6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c1-14-6-9-18(20(23)24)13-21(14)19(22)11-8-15-7-10-16-4-2-3-5-17(16)12-15/h2-5,7,10,12,14,18H,6,8-9,11,13H2,1H3,(H,23,24)
InChIKeyKOYUHMYXIWECDG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.48
Rot. Bonds4

About 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid

6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 122113865) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID122113865
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)CCc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO3/c1-14-6-9-18(20(23)24)13-21(14)19(22)11-8-15-7-10-16-4-2-3-5-17(16)12-15/h2-5,7,10,12,14,18H,6,8-9,11,13H2,1H3,(H,23,24)
InChIKeyKOYUHMYXIWECDG-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113705
6-methyl-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114448
6-methyl-1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-3-carboxylic acid
CID 122113753
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
6-methyl-1-[3-(2-methylanilino)propanoyl]piperidine-3-carboxylic acid
CID 122113359
(3S,6S)-1-[3-(4-ethoxyphenyl)propanoyl]-6-methylpiperidine-3-carboxamide
CID 95584899
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 128984922
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid (CID 122113865) is 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)CCc1ccc2ccccc2c1.
What is the InChIKey of 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is KOYUHMYXIWECDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-9-18(20(23)24)13-21(14)19(22)11-8-15-7-10-16-4-2-3-5-17(16)12-15/h2-5,7,10,12,14,18H,6,8-9,11,13H2,1H3,(H,23,24).
What are the key properties of 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid?
6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3-naphthalen-2-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).