1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

C15H24N2O3 — CID 43441126

IUPAC1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CCCCC1C(=O)O)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-2-17(12-7-3-4-8-12)14(18)11-16-10-6-5-9-13(16)15(19)20/h7,13H,2-6,8-11H2,1H3,(H,19,20)
InChIKeyQCDVZCJCEJZFHL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 43441126) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID43441126
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCN(C(=O)CN1CCCCC1C(=O)O)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-2-17(12-7-3-4-8-12)14(18)11-16-10-6-5-9-13(16)15(19)20/h7,13H,2-6,8-11H2,1H3,(H,19,20)
InChIKeyQCDVZCJCEJZFHL-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 78979240
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 63255496
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351316
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 102681908
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 115371337
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 102681909
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60969833
N-(cyclohexen-1-yl)-N-ethyl-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82755230
N-(cyclohexen-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-ethylacetamide
CID 115314324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 43441126) is 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is CCN(C(=O)CN1CCCCC1C(=O)O)C1=CCCC1.
What is the InChIKey of 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is QCDVZCJCEJZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-17(12-7-3-4-8-12)14(18)11-16-10-6-5-9-13(16)15(19)20/h7,13H,2-6,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).