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

C20H23FN4O2 — CID 134006291

IUPAC4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H23FN4O2/c1-22-19(26)16-8-6-15(7-9-16)14-23-20(27)25-12-10-24(11-13-25)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyDZOPYVHAKIXOER-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.22
Rot. Bonds4

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

4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 134006291) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID134006291
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H23FN4O2/c1-22-19(26)16-8-6-15(7-9-16)14-23-20(27)25-12-10-24(11-13-25)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyDZOPYVHAKIXOER-UHFFFAOYSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-ethyl-4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111149080
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111148783
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 87003296
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
4-[[[C-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111238054
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide (CID 134006291) is 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide is CNC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is DZOPYVHAKIXOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-22-19(26)16-8-6-15(7-9-16)14-23-20(27)25-12-10-24(11-13-25)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 134006291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).