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

C20H22FN3O3 — CID 87000027

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H22FN3O3/c21-18-4-2-1-3-15(18)9-10-22-20(27)24-13-11-23(12-14-24)19(26)16-5-7-17(25)8-6-16/h1-8,25H,9-14H2,(H,22,27)
InChIKeyUCLJMGMUBNJZCS-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.24
Rot. Bonds4

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

N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide (PubChem CID 87000027) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
PubChem CID87000027
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H22FN3O3/c21-18-4-2-1-3-15(18)9-10-22-20(27)24-13-11-23(12-14-24)19(26)16-5-7-17(25)8-6-16/h1-8,25H,9-14H2,(H,22,27)
InChIKeyUCLJMGMUBNJZCS-UHFFFAOYSA-N
XLogP2.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)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-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019335
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide (CID 87000027) is N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1F)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The InChIKey is UCLJMGMUBNJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-18-4-2-1-3-15(18)9-10-22-20(27)24-13-11-23(12-14-24)19(26)16-5-7-17(25)8-6-16/h1-8,25H,9-14H2,(H,22,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 87000027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).