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

C14H20N2O4 — CID 159951428

IUPACmethyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11(10-16-7-3-2-4-8-16)15-13(17)12-6-5-9-20-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,17)
InChIKeyIESQIBNWXDFQAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.04
Rot. Bonds5

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

methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate (PubChem CID 159951428) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
PubChem CID159951428
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C14H20N2O4/c1-19-14(18)11(10-16-7-3-2-4-8-16)15-13(17)12-6-5-9-20-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,17)
InChIKeyIESQIBNWXDFQAP-UHFFFAOYSA-N
XLogP1.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
CID 126615777
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 (2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(furan-2-carbonylamino)propanoate
CID 138990872
methyl 2-(azepan-1-ylmethyl)-3-(furan-2-yl)propanoate
CID 117246343
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate (CID 159951428) is methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate is COC(=O)C(CN1CCCCC1)NC(=O)c1ccco1.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate?
The InChIKey is IESQIBNWXDFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-14(18)11(10-16-7-3-2-4-8-16)15-13(17)12-6-5-9-20-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,15,17).
What are the key properties of methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate?
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate has a molecular weight of 280.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate is sourced from PubChem (CID 159951428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).