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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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).