4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C15H24N2O4 — CID 103194974

IUPAC4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2CC(C)CC2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-9-6-11(12(7-9)15(20)21)14(19)17-5-3-4-10(8-17)13(18)16-2/h9-12H,3-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyIQIZOBBEOAMHIZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.72
Rot. Bonds3

About 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103194974) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103194974
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2CC(C)CC2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-9-6-11(12(7-9)15(20)21)14(19)17-5-3-4-10(8-17)13(18)16-2/h9-12H,3-8H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyIQIZOBBEOAMHIZ-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
2-[3-(butylcarbamoyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975736
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 103194974) is 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is CNC(=O)C1CCCN(C(=O)C2CC(C)CC2C(=O)O)C1.
What is the InChIKey of 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is IQIZOBBEOAMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9-6-11(12(7-9)15(20)21)14(19)17-5-3-4-10(8-17)13(18)16-2/h9-12H,3-8H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103194974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).