1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid

C13H21F3N2O3 — CID 62656854

IUPAC1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)N(CC(=O)N1CCC(C(=O)O)CC1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)7-11(19)17-5-3-10(4-6-17)12(20)21/h9-10H,3-8H2,1-2H3,(H,20,21)
InChIKeyOIFBSJWHQRITSL-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62656854) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID62656854
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCC(C)N(CC(=O)N1CCC(C(=O)O)CC1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)7-11(19)17-5-3-10(4-6-17)12(20)21/h9-10H,3-8H2,1-2H3,(H,20,21)
InChIKeyOIFBSJWHQRITSL-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid (CID 62656854) is 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid is CC(C)N(CC(=O)N1CCC(C(=O)O)CC1)CC(F)(F)F.
What is the InChIKey of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is OIFBSJWHQRITSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-9(2)18(8-13(14,15)16)7-11(19)17-5-3-10(4-6-17)12(20)21/h9-10H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62656854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).