1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid

C17H21F3N2O4 — CID 119907704

IUPAC1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)11-26-14-3-1-2-12(8-14)9-21-15(23)10-22-6-4-13(5-7-22)16(24)25/h1-3,8,13H,4-7,9-11H2,(H,21,23)(H,24,25)
InChIKeyDXDRUSAOPZJCBD-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.04
Rot. Bonds7

About 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid (PubChem CID 119907704) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
PubChem CID119907704
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)11-26-14-3-1-2-12(8-14)9-21-15(23)10-22-6-4-13(5-7-22)16(24)25/h1-3,8,13H,4-7,9-11H2,(H,21,23)(H,24,25)
InChIKeyDXDRUSAOPZJCBD-UHFFFAOYSA-N
XLogP2.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905107
N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
CID 55744540
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 87019705
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907147
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119283411
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
2-(5-oxo-4-phenyltetrazol-1-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 112842896
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 78899307

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid (CID 119907704) is 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
The InChIKey is DXDRUSAOPZJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c18-17(19,20)11-26-14-3-1-2-12(8-14)9-21-15(23)10-22-6-4-13(5-7-22)16(24)25/h1-3,8,13H,4-7,9-11H2,(H,21,23)(H,24,25).
What are the key properties of 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid has a molecular weight of 374.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).