5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid

C19H25NO3 — CID 122117216

IUPAC5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1C1(C(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C19H25NO3/c1-13-10-15(17(21)22)12-20(11-13)18(23)19(8-5-9-19)16-7-4-3-6-14(16)2/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,21,22)
InChIKeyFGCDRIHQQGVKIW-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.99
Rot. Bonds3

About 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid

5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 122117216) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
PubChem CID122117216
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1C1(C(=O)N2CC(C)CC(C(=O)O)C2)CCC1
InChIInChI=1S/C19H25NO3/c1-13-10-15(17(21)22)12-20(11-13)18(23)19(8-5-9-19)16-7-4-3-6-14(16)2/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,21,22)
InChIKeyFGCDRIHQQGVKIW-UHFFFAOYSA-N
XLogP2.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
[1-(2-methylphenyl)cyclopropyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620383
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 154749248
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119635994
1-[(3,3-dimethyl-1,2-dihydroinden-1-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123219
(3aR,7aS)-1-methyl-5-[1-(2-methylphenyl)cyclobutanecarbonyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120963729
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid (CID 122117216) is 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid is Cc1ccccc1C1(C(=O)N2CC(C)CC(C(=O)O)C2)CCC1.
What is the InChIKey of 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is FGCDRIHQQGVKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-10-15(17(21)22)12-20(11-13)18(23)19(8-5-9-19)16-7-4-3-6-14(16)2/h3-4,6-7,13,15H,5,8-12H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-(2-methylphenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122117216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).