3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C15H24N2O4 — CID 103550405

IUPAC3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H24N2O4/c1-2-16-13(18)10-5-7-17(8-6-10)14(19)11-3-4-12(9-11)15(20)21/h10-12H,2-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyGMEBEVLDXPHERM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.86
Rot. Bonds4

About 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103550405) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103550405
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCCNC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C15H24N2O4/c1-2-16-13(18)10-5-7-17(8-6-10)14(19)11-3-4-12(9-11)15(20)21/h10-12H,2-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyGMEBEVLDXPHERM-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
(3S)-5-(ethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 70985200
1-(2-aminocyclohexanecarbonyl)-N-ethylpiperidine-4-carboxamide
CID 64822823
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
1-(4-aminooxolane-3-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 66235835
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
4-[4-(ethylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302523
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327
1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94116306

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 103550405) is 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is CCNC(=O)C1CCN(C(=O)C2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is GMEBEVLDXPHERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-16-13(18)10-5-7-17(8-6-10)14(19)11-3-4-12(9-11)15(20)21/h10-12H,2-9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).