4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C16H27NO3 — CID 114592344

IUPAC4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C16H27NO3/c1-9-6-13(14(7-9)16(19)20)15(18)17-8-10(2)5-11(3)12(17)4/h9-14H,5-8H2,1-4H3,(H,19,20)
InChIKeyRYXQSQQMXCGYBK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.63
Rot. Bonds2

About 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114592344) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114592344
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C16H27NO3/c1-9-6-13(14(7-9)16(19)20)15(18)17-8-10(2)5-11(3)12(17)4/h9-14H,5-8H2,1-4H3,(H,19,20)
InChIKeyRYXQSQQMXCGYBK-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939777
piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593112
(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 114594006
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide
CID 114594555
[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593120

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114592344) is 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)N2CC(C)CC(C)C2C)C1.
What is the InChIKey of 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is RYXQSQQMXCGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-9-6-13(14(7-9)16(19)20)15(18)17-8-10(2)5-11(3)12(17)4/h9-14H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114592344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).