(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid

C17H16ClNO4 — CID 119113435

IUPAC(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H16ClNO4/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)16(20)19-9-3-4-11(10-19)17(21)22/h1-2,5-8,11H,3-4,9-10H2,(H,21,22)/t11-/m0/s1
InChIKeyGZYNMIDSINQSAQ-NSHDSACASA-N
MW333.77 g/mol
LogP3.54
Rot. Bonds3

About (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119113435) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID119113435
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1
InChIInChI=1S/C17H16ClNO4/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)16(20)19-9-3-4-11(10-19)17(21)22/h1-2,5-8,11H,3-4,9-10H2,(H,21,22)/t11-/m0/s1
InChIKeyGZYNMIDSINQSAQ-NSHDSACASA-N
XLogP3.54
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chlorophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 18105311
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
[5-(2-chlorophenyl)furan-2-yl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 70744841
[5-(2-chlorophenyl)furan-2-yl]-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 154801117
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
[5-(2-chlorophenyl)furan-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56888923
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
(3S)-1-[5-(dimethylsulfamoyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113532

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid (CID 119113435) is (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1.
What is the InChIKey of (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is GZYNMIDSINQSAQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClNO4/c18-13-6-2-1-5-12(13)14-7-8-15(23-14)16(20)19-9-3-4-11(10-19)17(21)22/h1-2,5-8,11H,3-4,9-10H2,(H,21,22)/t11-/m0/s1.
What are the key properties of (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 333.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119113435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).