methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

C15H24N2O3 — CID 115371337

IUPACmethyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-16(12-7-3-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20-2/h7,13H,3-6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyGAFGVNVGAUDLQM-CYBMUJFWSA-N
MW280.37 g/mol
LogP1.54
Rot. Bonds4

About methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 115371337) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID115371337
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namemethyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1CC(=O)N(C)C1=CCCC1
InChIInChI=1S/C15H24N2O3/c1-16(12-7-3-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20-2/h7,13H,3-6,8-11H2,1-2H3/t13-/m1/s1
InChIKeyGAFGVNVGAUDLQM-CYBMUJFWSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
ethyl 1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 78979240
1-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441126
N-(cyclopenten-1-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 55076318
N-(cyclopenten-1-yl)-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62274435
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 102681815
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 94340550
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
N-(cyclopenten-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
CID 114681463
methyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-cyclopentylamino]acetate
CID 80718028

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 115371337) is methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1CC(=O)N(C)C1=CCCC1.
What is the InChIKey of methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is GAFGVNVGAUDLQM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16(12-7-3-4-8-12)14(18)11-17-10-6-5-9-13(17)15(19)20-2/h7,13H,3-6,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 115371337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).