1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

C14H18BrNO4 — CID 63125093

IUPAC1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H18BrNO4/c1-2-5-14(13(18)19)6-8-16(9-7-14)12(17)10-3-4-11(15)20-10/h3-4H,2,5-9H2,1H3,(H,18,19)
InChIKeyTVKHDQDZSGUQJI-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.15
Rot. Bonds4

About 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125093) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125093
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H18BrNO4/c1-2-5-14(13(18)19)6-8-16(9-7-14)12(17)10-3-4-11(15)20-10/h3-4H,2,5-9H2,1H3,(H,18,19)
InChIKeyTVKHDQDZSGUQJI-UHFFFAOYSA-N
XLogP3.15
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(5-ethylfuran-2-carbonyl)piperidine-4-carboxylic acid
CID 63125392
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
1-(5-bromopyridine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125731
1-(2-methylpyrazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125678
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63125093) is 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is TVKHDQDZSGUQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-2-5-14(13(18)19)6-8-16(9-7-14)12(17)10-3-4-11(15)20-10/h3-4H,2,5-9H2,1H3,(H,18,19).
What are the key properties of 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 344.21 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).