1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C14H18ClNO4 — CID 106683454

IUPAC1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C14H18ClNO4/c1-2-5-14(13(18)19)6-3-7-16(9-14)12(17)10-4-8-20-11(10)15/h4,8H,2-3,5-7,9H2,1H3,(H,18,19)
InChIKeyLCLDCHMJDGQKCJ-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 106683454) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID106683454
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C14H18ClNO4/c1-2-5-14(13(18)19)6-3-7-16(9-14)12(17)10-4-8-20-11(10)15/h4,8H,2-3,5-7,9H2,1H3,(H,18,19)
InChIKeyLCLDCHMJDGQKCJ-UHFFFAOYSA-N
XLogP3.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 106683456
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134146
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(1,5-dimethylpyrazole-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63134677
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
(3S)-1-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97131360
(3S)-1-(6-oxo-1H-pyrazine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017533
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 106683454) is 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is LCLDCHMJDGQKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-2-5-14(13(18)19)6-3-7-16(9-14)12(17)10-4-8-20-11(10)15/h4,8H,2-3,5-7,9H2,1H3,(H,18,19).
What are the key properties of 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 299.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 106683454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).