2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3N3O3 — CID 79266723

IUPAC2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NC1CCNCC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,19)(H,17,18)
InChIKeyKVPQZDZXKVLCID-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.40
Rot. Bonds4

About 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266723) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266723
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NC1CCNCC1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,19)(H,17,18)
InChIKeyKVPQZDZXKVLCID-UHFFFAOYSA-N
XLogP0.40
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266723) is 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NC1CCNCC1.
What is the InChIKey of 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KVPQZDZXKVLCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-16(5-8(17)18)9(19)15-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).