1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

C14H19NO4 — CID 63134146

IUPAC1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C14H19NO4/c1-2-5-14(13(17)18)6-3-7-15(10-14)12(16)11-4-8-19-9-11/h4,8-9H,2-3,5-7,10H2,1H3,(H,17,18)
InChIKeyMYOKYHCXBICDNP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.39
Rot. Bonds4

About 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63134146) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63134146
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C14H19NO4/c1-2-5-14(13(17)18)6-3-7-15(10-14)12(16)11-4-8-19-9-11/h4,8-9H,2-3,5-7,10H2,1H3,(H,17,18)
InChIKeyMYOKYHCXBICDNP-UHFFFAOYSA-N
XLogP2.39
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 106683454
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
1-(5-hydroxypyridine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63850654
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
(3S)-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 97141633
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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63134146) is 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is MYOKYHCXBICDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-5-14(13(17)18)6-3-7-15(10-14)12(16)11-4-8-19-9-11/h4,8-9H,2-3,5-7,10H2,1H3,(H,17,18).
What are the key properties of 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63134146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).