phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate

C22H24ClFN2O4 — CID 19024348

IUPACphenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)Oc1cc(NC(=O)C2CCCCN2C(=O)Oc2ccccc2)c(F)cc1Cl
InChIInChI=1S/C22H24ClFN2O4/c1-14(2)29-20-13-18(17(24)12-16(20)23)25-21(27)19-10-6-7-11-26(19)22(28)30-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,25,27)
InChIKeyGMTQIRJDLRGVEG-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.26
Rot. Bonds5

About phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate

phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 19024348) has the molecular formula C22H24ClFN2O4 and a molecular weight of 434.90 g/mol. Its IUPAC name is phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID19024348
Molecular FormulaC22H24ClFN2O4
Molecular Weight434.90 g/mol
Exact Mass434.14
IUPAC Namephenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)Oc1cc(NC(=O)C2CCCCN2C(=O)Oc2ccccc2)c(F)cc1Cl
InChIInChI=1S/C22H24ClFN2O4/c1-14(2)29-20-13-18(17(24)12-16(20)23)25-21(27)19-10-6-7-11-26(19)22(28)30-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,25,27)
InChIKeyGMTQIRJDLRGVEG-UHFFFAOYSA-N
XLogP5.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate (CID 19024348) is phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate is CC(C)Oc1cc(NC(=O)C2CCCCN2C(=O)Oc2ccccc2)c(F)cc1Cl.
What is the InChIKey of phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is GMTQIRJDLRGVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O4/c1-14(2)29-20-13-18(17(24)12-16(20)23)25-21(27)19-10-6-7-11-26(19)22(28)30-15-8-4-3-5-9-15/h3-5,8-9,12-14,19H,6-7,10-11H2,1-2H3,(H,25,27).
What are the key properties of phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate?
phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 434.90 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 19024348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).