2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid

C16H18F4N2O4 — CID 120515566

IUPAC2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1
InChIInChI=1S/C16H18F4N2O4/c17-15(18)16(19,20)9-26-12-2-1-11(8-21-12)14(25)22-5-3-10(4-6-22)7-13(23)24/h1-2,8,10,15H,3-7,9H2,(H,23,24)
InChIKeySQNIUZXZRMEVCL-UHFFFAOYSA-N
MW378.32 g/mol
LogP2.69
Rot. Bonds7

About 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid

2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 120515566) has the molecular formula C16H18F4N2O4 and a molecular weight of 378.32 g/mol. Its IUPAC name is 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
PubChem CID120515566
Molecular FormulaC16H18F4N2O4
Molecular Weight378.32 g/mol
Exact Mass378.12
IUPAC Name2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1
InChIInChI=1S/C16H18F4N2O4/c17-15(18)16(19,20)9-26-12-2-1-11(8-21-12)14(25)22-5-3-10(4-6-22)7-13(23)24/h1-2,8,10,15H,3-7,9H2,(H,23,24)
InChIKeySQNIUZXZRMEVCL-UHFFFAOYSA-N
XLogP2.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
CID 120816508
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
[(4S)-4-(dimethylamino)azepan-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 100636861
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
CID 120519325
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid (CID 120515566) is 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1.
What is the InChIKey of 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is SQNIUZXZRMEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O4/c17-15(18)16(19,20)9-26-12-2-1-11(8-21-12)14(25)22-5-3-10(4-6-22)7-13(23)24/h1-2,8,10,15H,3-7,9H2,(H,23,24).
What are the key properties of 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 378.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).