4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid

C19H23F3N2O3 — CID 88962036

IUPAC4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)17(25)24(16-12-15(16)14-4-2-1-3-5-14)11-8-13-6-9-23(10-7-13)18(26)27/h1-5,13,15-16H,6-12H2,(H,26,27)
InChIKeyLPNDZOGRBBLFRE-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.71
Rot. Bonds5

About 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid

4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid (PubChem CID 88962036) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
PubChem CID88962036
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)17(25)24(16-12-15(16)14-4-2-1-3-5-14)11-8-13-6-9-23(10-7-13)18(26)27/h1-5,13,15-16H,6-12H2,(H,26,27)
InChIKeyLPNDZOGRBBLFRE-UHFFFAOYSA-N
XLogP3.71
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid (CID 88962036) is 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCN(C(=O)C(F)(F)F)C2CC2c2ccccc2)CC1.
What is the InChIKey of 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
The InChIKey is LPNDZOGRBBLFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)17(25)24(16-12-15(16)14-4-2-1-3-5-14)11-8-13-6-9-23(10-7-13)18(26)27/h1-5,13,15-16H,6-12H2,(H,26,27).
What are the key properties of 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid?
4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid has a molecular weight of 384.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-phenylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 88962036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).