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

C14H22N2O4 — CID 103551311

IUPAC3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O4/c1-15-12(17)11-3-2-6-16(8-11)13(18)9-4-5-10(7-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyLLDSBWXXDYAKBU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.47
Rot. Bonds3

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

3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103551311) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103551311
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O4/c1-15-12(17)11-3-2-6-16(8-11)13(18)9-4-5-10(7-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20)
InChIKeyLLDSBWXXDYAKBU-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103194974
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 103551311) is 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is CNC(=O)C1CCCN(C(=O)C2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is LLDSBWXXDYAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-15-12(17)11-3-2-6-16(8-11)13(18)9-4-5-10(7-9)14(19)20/h9-11H,2-8H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).