methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate

C13H19N3O4 — CID 126615777

IUPACmethyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCNCC1)NC(=O)c1ccco1
InChIInChI=1S/C13H19N3O4/c1-19-13(18)10(9-16-6-4-14-5-7-16)15-12(17)11-3-2-8-20-11/h2-3,8,10,14H,4-7,9H2,1H3,(H,15,17)
InChIKeyALJIDOULTNYECN-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.54
Rot. Bonds5

About methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate

methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate (PubChem CID 126615777) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
PubChem CID126615777
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCNCC1)NC(=O)c1ccco1
InChIInChI=1S/C13H19N3O4/c1-19-13(18)10(9-16-6-4-14-5-7-16)15-12(17)11-3-2-8-20-11/h2-3,8,10,14H,4-7,9H2,1H3,(H,15,17)
InChIKeyALJIDOULTNYECN-UHFFFAOYSA-N
XLogP-0.54
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(benzylamino)-1-oxo-3-piperazin-1-ylpropan-2-yl]furan-2-carboxamide;methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
CID 145259962
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428
methyl (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(furan-2-carbonylamino)propanoate
CID 138990872
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119394218
N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 120888678
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 117240874
methyl (2S)-2-(4-bromophenyl)-2-(furan-2-carbonylamino)acetate
CID 94814289
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate (CID 126615777) is methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate is COC(=O)C(CN1CCNCC1)NC(=O)c1ccco1.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate?
The InChIKey is ALJIDOULTNYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-13(18)10(9-16-6-4-14-5-7-16)15-12(17)11-3-2-8-20-11/h2-3,8,10,14H,4-7,9H2,1H3,(H,15,17).
What are the key properties of methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate?
methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate has a molecular weight of 281.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate is sourced from PubChem (CID 126615777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).