methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate

C14H18N2O5 — CID 78919778

IUPACmethyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(9-10)12(17)8-15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyAPZCIJJLVQYLEY-JTQLQIEISA-N
MW294.31 g/mol
LogP0.42
Rot. Bonds4

About methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate

methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate (PubChem CID 78919778) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
PubChem CID78919778
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(9-10)12(17)8-15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyAPZCIJJLVQYLEY-JTQLQIEISA-N
XLogP0.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-(2-aminoethyl)-1-[3-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 119479743
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51317520
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671
methyl 1-(2-benzylsulfanylacetyl)piperidine-3-carboxylate
CID 78918834
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
methyl 1-[3-(furan-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 43409956

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate (CID 78919778) is methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccco2)C1.
What is the InChIKey of methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate?
The InChIKey is APZCIJJLVQYLEY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(9-10)12(17)8-15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,18)/t10-/m0/s1.
What are the key properties of methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate?
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).