N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide

C21H23ClFN3O2 — CID 23794104

IUPACN-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
SMILESO=C(CCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFN3O2/c22-17-3-1-4-19(15-17)24-21(28)26-13-11-25(12-14-26)10-2-5-20(27)16-6-8-18(23)9-7-16/h1,3-4,6-9,15H,2,5,10-14H2,(H,24,28)
InChIKeyRISMRZOGWDJNCH-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.29
Rot. Bonds6

About N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide (PubChem CID 23794104) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
PubChem CID23794104
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
SMILESO=C(CCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFN3O2/c22-17-3-1-4-19(15-17)24-21(28)26-13-11-25(12-14-26)10-2-5-20(27)16-6-8-18(23)9-7-16/h1,3-4,6-9,15H,2,5,10-14H2,(H,24,28)
InChIKeyRISMRZOGWDJNCH-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
N-(4-chlorophenyl)-4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]piperazine-1-carboxamide
CID 42709979
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 42710305
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
4-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113109928
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
N-(3-chlorophenyl)-4-[2-[(4-fluorophenyl)methyl-(octylcarbamoyl)amino]ethyl]piperazine-1-carboxamide
CID 42710309
N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 110418645
4-[2-[(3-chlorophenyl)carbamoyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 1061123
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide (CID 23794104) is N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide is O=C(CCCN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide?
The InChIKey is RISMRZOGWDJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-17-3-1-4-19(15-17)24-21(28)26-13-11-25(12-14-26)10-2-5-20(27)16-6-8-18(23)9-7-16/h1,3-4,6-9,15H,2,5,10-14H2,(H,24,28).
What are the key properties of N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide is sourced from PubChem (CID 23794104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).