(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate

C15H23N3O3 — CID 61314905

IUPAC(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OC(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-3-17-10-12(16)9-13(17)15(20)21-11(2)14(19)18-7-5-4-6-8-18/h9-11H,3-8,16H2,1-2H3
InChIKeyRYOYKUCTNYAUGI-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.65
Rot. Bonds4

About (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate

(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate (PubChem CID 61314905) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
PubChem CID61314905
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
SMILESCCn1cc(N)cc1C(=O)OC(C)C(=O)N1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-3-17-10-12(16)9-13(17)15(20)21-11(2)14(19)18-7-5-4-6-8-18/h9-11H,3-8,16H2,1-2H3
InChIKeyRYOYKUCTNYAUGI-UHFFFAOYSA-N
XLogP1.65
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-1-ethylpyrrole-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106835
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
4-methylpentyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61310258
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
(4-amino-1-ethylpyrrol-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774779
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124225
6-hydroxyhexyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 107706189
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate
CID 18091015
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392603
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 8943038
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate?
The IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate (CID 61314905) is (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate.
What is the SMILES notation for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate?
The canonical SMILES for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate is CCn1cc(N)cc1C(=O)OC(C)C(=O)N1CCCCC1.
What is the InChIKey of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate?
The InChIKey is RYOYKUCTNYAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-10-12(16)9-13(17)15(20)21-11(2)14(19)18-7-5-4-6-8-18/h9-11H,3-8,16H2,1-2H3.
What are the key properties of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate?
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate is sourced from PubChem (CID 61314905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).