1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid

C20H22N2O6 — CID 119243546

IUPAC1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)o1
InChIInChI=1S/C20H22N2O6/c1-27-12-15-8-9-17(28-15)18(23)21-14-6-4-5-13(11-14)19(24)22-10-3-2-7-16(22)20(25)26/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeyUKBYJPCKLXSQLH-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.76
Rot. Bonds6

About 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid

1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid (PubChem CID 119243546) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
PubChem CID119243546
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid
SMILESCOCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)o1
InChIInChI=1S/C20H22N2O6/c1-27-12-15-8-9-17(28-15)18(23)21-14-6-4-5-13(11-14)19(24)22-10-3-2-7-16(22)20(25)26/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,21,23)(H,25,26)
InChIKeyUKBYJPCKLXSQLH-UHFFFAOYSA-N
XLogP2.76
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
1-[5-(methoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355659
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
1-[3-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243639
1-[3-[(2-methylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 132900807
1-[3-[(2,6-difluorobenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243601
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 120687704
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
1-[3-[(2,4-dimethylbenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243505
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid (CID 119243546) is 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid is COCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3C(=O)O)c2)o1.
What is the InChIKey of 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid?
The InChIKey is UKBYJPCKLXSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-27-12-15-8-9-17(28-15)18(23)21-14-6-4-5-13(11-14)19(24)22-10-3-2-7-16(22)20(25)26/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid?
1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid has a molecular weight of 386.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(methoxymethyl)furan-2-carbonyl]amino]benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119243546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).