4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C20H24FN3O — CID 113107645

IUPAC4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCc1ccccc1N1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-2-17-5-3-4-6-19(17)23-11-13-24(14-12-23)20(25)22-15-16-7-9-18(21)10-8-16/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyCVSADVKTPPCTAP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.42
Rot. Bonds4

About 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107645) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113107645
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCCc1ccccc1N1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-2-17-5-3-4-6-19(17)23-11-13-24(14-12-23)20(25)22-15-16-7-9-18(21)10-8-16/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyCVSADVKTPPCTAP-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107696
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
4-[4-(diethylamino)phenyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107679
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107948

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113107645) is 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CCc1ccccc1N1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is CVSADVKTPPCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-2-17-5-3-4-6-19(17)23-11-13-24(14-12-23)20(25)22-15-16-7-9-18(21)10-8-16/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).