2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid

C10H15F3N2O3 — CID 114189971

IUPAC2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-7(16)15-9(6-8(17)18)1-3-14-4-2-9/h14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyCYKUTQMXWMEDFL-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid

2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid (PubChem CID 114189971) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid
PubChem CID114189971
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-7(16)15-9(6-8(17)18)1-3-14-4-2-9/h14H,1-6H2,(H,15,16)(H,17,18)
InChIKeyCYKUTQMXWMEDFL-UHFFFAOYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517846
2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64683313
[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
CID 61245221
2-[1-(3-piperidin-4-yloxypropanoylamino)cyclopentyl]acetic acid
CID 64702108

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid (CID 114189971) is 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid is O=C(O)CC1(NC(=O)CC(F)(F)F)CCNCC1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid?
The InChIKey is CYKUTQMXWMEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)5-7(16)15-9(6-8(17)18)1-3-14-4-2-9/h14H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid?
2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid is sourced from PubChem (CID 114189971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).