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

C13H16ClNO5 — CID 106683480

IUPAC3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H16ClNO5/c14-12-10(3-7-20-12)13(18)15-5-1-9(2-6-15)19-8-4-11(16)17/h3,7,9H,1-2,4-6,8H2,(H,16,17)
InChIKeyZLWQAMFWXSCQCB-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.03
Rot. Bonds5

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

3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 106683480) has the molecular formula C13H16ClNO5 and a molecular weight of 301.73 g/mol. Its IUPAC name is 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID106683480
Molecular FormulaC13H16ClNO5
Molecular Weight301.73 g/mol
Exact Mass301.07
IUPAC Name3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C13H16ClNO5/c14-12-10(3-7-20-12)13(18)15-5-1-9(2-6-15)19-8-4-11(16)17/h3,7,9H,1-2,4-6,8H2,(H,16,17)
InChIKeyZLWQAMFWXSCQCB-UHFFFAOYSA-N
XLogP2.03
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
3-[1-(2,5-dibromothiophene-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 107949209
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63871086
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
3-[1-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875743
3-[1-(3-bromobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63871391

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 106683480) is 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)c2ccoc2Cl)CC1.
What is the InChIKey of 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is ZLWQAMFWXSCQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5/c14-12-10(3-7-20-12)13(18)15-5-1-9(2-6-15)19-8-4-11(16)17/h3,7,9H,1-2,4-6,8H2,(H,16,17).
What are the key properties of 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 301.73 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorofuran-3-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 106683480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).