1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

C18H17ClN2O5 — CID 119955465

IUPAC1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C18H17ClN2O5/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25)
InChIKeyLXRFCLYSQVDJRT-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.12
Rot. Bonds4

About 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119955465) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119955465
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)o1
InChIInChI=1S/C18H17ClN2O5/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25)
InChIKeyLXRFCLYSQVDJRT-UHFFFAOYSA-N
XLogP3.12
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
N-[4-(azepane-1-carbonyl)phenyl]-5-bromofuran-2-carboxamide
CID 17199012
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
1-[4-[(1-methylcyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250461
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-[4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoyl]piperidine-4-carboxylic acid
CID 167849672

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119955465) is 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is O=C(Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1)c1ccc(Cl)o1.
What is the InChIKey of 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is LXRFCLYSQVDJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c19-15-6-5-14(26-15)16(22)20-13-3-1-11(2-4-13)17(23)21-9-7-12(8-10-21)18(24)25/h1-6,12H,7-10H2,(H,20,22)(H,24,25).
What are the key properties of 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119955465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).