[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

C18H25N3O6 — CID 46626989

IUPAC[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O6/c1-11(2)19-18(25)20-15(22)12(3)27-17(24)13-6-8-21(9-7-13)16(23)14-5-4-10-26-14/h4-5,10-13H,6-9H2,1-3H3,(H2,19,20,22,25)
InChIKeyYSYRGNJAANXXHQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.30
Rot. Bonds5

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (PubChem CID 46626989) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
PubChem CID46626989
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H25N3O6/c1-11(2)19-18(25)20-15(22)12(3)27-17(24)13-6-8-21(9-7-13)16(23)14-5-4-10-26-14/h4-5,10-13H,6-9H2,1-3H3,(H2,19,20,22,25)
InChIKeyYSYRGNJAANXXHQ-UHFFFAOYSA-N
XLogP1.30
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55424509
(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9431911
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 39968800
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8955915
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-3-carboxylate
CID 42938929
[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 46609824
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 55980146
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55420124
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55403557
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate (CID 46626989) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is CC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is YSYRGNJAANXXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-11(2)19-18(25)20-15(22)12(3)27-17(24)13-6-8-21(9-7-13)16(23)14-5-4-10-26-14/h4-5,10-13H,6-9H2,1-3H3,(H2,19,20,22,25).
What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate?
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 46626989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).