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

C14H18N2O5 — CID 63134020

IUPAC1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20)5-3-6-16(9-14)11(17)8-15-12(18)10-4-2-7-21-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyCWNHNAPXSAZTDB-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.72
Rot. Bonds4

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

1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63134020) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63134020
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)CNC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-14(13(19)20)5-3-6-16(9-14)11(17)8-15-12(18)10-4-2-7-21-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,15,18)(H,19,20)
InChIKeyCWNHNAPXSAZTDB-UHFFFAOYSA-N
XLogP0.72
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146805
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylic acid
CID 43171014
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
3-methyl-1-(2-phenylmethoxyacetyl)piperidine-3-carboxylic acid
CID 63133590
3-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 63146495
5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 115875368
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[2-[2-[2-(4-chlorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
CID 4665105
1-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-3-methylpiperidine-3-carboxylic acid
CID 82964102

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid (CID 63134020) is 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)CNC(=O)c2ccco2)C1.
What is the InChIKey of 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is CWNHNAPXSAZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-14(13(19)20)5-3-6-16(9-14)11(17)8-15-12(18)10-4-2-7-21-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid?
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.72, 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]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).