2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid

C11H16F4N2O3 — CID 106295133

IUPAC2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)6-16-10(20)17-3-1-2-7(5-17)4-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyUILNDOIOVLSYEZ-UHFFFAOYSA-N
MW300.25 g/mol
LogP1.78
Rot. Bonds5

About 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 106295133) has the molecular formula C11H16F4N2O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID106295133
Molecular FormulaC11H16F4N2O3
Molecular Weight300.25 g/mol
Exact Mass300.11
IUPAC Name2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)6-16-10(20)17-3-1-2-7(5-17)4-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19)
InChIKeyUILNDOIOVLSYEZ-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4,4,4-trifluorobutylcarbamoyl)piperidin-3-yl]acetic acid
CID 115521318
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
N-(2,2,3,3-tetrafluoropropyl)azepane-1-carboxamide
CID 106291080
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid (CID 106295133) is 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCC(F)(F)C(F)F)C1.
What is the InChIKey of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is UILNDOIOVLSYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O3/c12-9(13)11(14,15)6-16-10(20)17-3-1-2-7(5-17)4-8(18)19/h7,9H,1-6H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 300.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,3,3-tetrafluoropropylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 106295133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).