3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid

C13H17NO5 — CID 63875477

IUPAC3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H17NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h1-2,8,10H,3-7,9H2,(H,15,16)
InChIKeyBOLSUWNLLCKCES-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.38
Rot. Bonds5

About 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63875477) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63875477
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H17NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h1-2,8,10H,3-7,9H2,(H,15,16)
InChIKeyBOLSUWNLLCKCES-UHFFFAOYSA-N
XLogP1.38
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 106683480
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
N-(3-cyclohexyloxypropyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166877
azepan-1-yl(furan-2-yl)methanone
CID 5200992
3-[1-(5-carbamimidoyl-1-benzofuran-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 100992789

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 63875477) is 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is BOLSUWNLLCKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h1-2,8,10H,3-7,9H2,(H,15,16).
What are the key properties of 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63875477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).