4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

C22H28FN3O2 — CID 113108978

IUPAC4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O2/c1-17(2)28-21-10-6-5-9-20(21)24-22(27)26-15-13-25(14-16-26)12-11-18-7-3-4-8-19(18)23/h3-10,17H,11-16H2,1-2H3,(H,24,27)
InChIKeyQNCXWDPQCJLCDI-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.01
Rot. Bonds6

About 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide

4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113108978) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113108978
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O2/c1-17(2)28-21-10-6-5-9-20(21)24-22(27)26-15-13-25(14-16-26)12-11-18-7-3-4-8-19(18)23/h3-10,17H,11-16H2,1-2H3,(H,24,27)
InChIKeyQNCXWDPQCJLCDI-UHFFFAOYSA-N
XLogP4.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-[2-(cyclohexen-1-yl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104743
4-[2-(2-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113108977
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-acetylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108987
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
N-(2-cyanophenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113108978) is 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1NC(=O)N1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is QNCXWDPQCJLCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-17(2)28-21-10-6-5-9-20(21)24-22(27)26-15-13-25(14-16-26)12-11-18-7-3-4-8-19(18)23/h3-10,17H,11-16H2,1-2H3,(H,24,27).
What are the key properties of 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).