[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate

C19H25N3O5 — CID 94406897

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)C1
InChIInChI=1S/C19H25N3O5/c1-3-15(23)22-11-7-10-14(12-22)18(25)27-16(13-8-5-4-6-9-13)17(24)21-19(26)20-2/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H2,20,21,24,26)/t14-,16-/m1/s1
InChIKeyVOVGRDBSAFSABC-GDBMZVCRSA-N
MW375.43 g/mol
LogP1.38
Rot. Bonds5

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate (PubChem CID 94406897) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate
PubChem CID94406897
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)C1
InChIInChI=1S/C19H25N3O5/c1-3-15(23)22-11-7-10-14(12-22)18(25)27-16(13-8-5-4-6-9-13)17(24)21-19(26)20-2/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H2,20,21,24,26)/t14-,16-/m1/s1
InChIKeyVOVGRDBSAFSABC-GDBMZVCRSA-N
XLogP1.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate with MolForge

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Related Compounds

[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] (3S)-1-acetylpiperidine-3-carboxylate
CID 37167988
[(1R)-2-ethoxy-2-oxo-1-pyridin-3-ylethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 97095151
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (3R)-1-acetylpiperidine-3-carboxylate
CID 37167913
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-propanoylpiperidine-3-carboxylate
CID 55818084
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 1-acetylpiperidine-3-carboxylate
CID 42928905
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] adamantane-2-carboxylate
CID 46813921
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949091
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate (CID 94406897) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)C1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate?
The InChIKey is VOVGRDBSAFSABC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-3-15(23)22-11-7-10-14(12-22)18(25)27-16(13-8-5-4-6-9-13)17(24)21-19(26)20-2/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3,(H2,20,21,24,26)/t14-,16-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 94406897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).