1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid

C13H16N2O5 — CID 43171014

IUPAC1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(NCC(=O)N1CCCC(C(=O)O)C1)c1ccco1
InChIInChI=1S/C13H16N2O5/c16-11(7-14-12(17)10-4-2-6-20-10)15-5-1-3-9(8-15)13(18)19/h2,4,6,9H,1,3,5,7-8H2,(H,14,17)(H,18,19)
InChIKeyOSRQKDJMBXJRLX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.33
Rot. Bonds4

About 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid

1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 43171014) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID43171014
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(NCC(=O)N1CCCC(C(=O)O)C1)c1ccco1
InChIInChI=1S/C13H16N2O5/c16-11(7-14-12(17)10-4-2-6-20-10)15-5-1-3-9(8-15)13(18)19/h2,4,6,9H,1,3,5,7-8H2,(H,14,17)(H,18,19)
InChIKeyOSRQKDJMBXJRLX-UHFFFAOYSA-N
XLogP0.33
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
(3S)-1-[2-(furan-2-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 81120339
1-butanoyl-N-[2-(furan-2-carbonylamino)ethyl]piperidine-3-carboxamide
CID 55883255
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
2-[1-[2-(furan-2-carbonylamino)acetyl]pyrrolidin-2-yl]acetic acid
CID 61371275
N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 38491111
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 43403339
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid (CID 43171014) is 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid is O=C(NCC(=O)N1CCCC(C(=O)O)C1)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is OSRQKDJMBXJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-11(7-14-12(17)10-4-2-6-20-10)15-5-1-3-9(8-15)13(18)19/h2,4,6,9H,1,3,5,7-8H2,(H,14,17)(H,18,19).
What are the key properties of 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid?
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43171014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).