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

C19H22FN3O — CID 27517573

IUPAC4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15-6-8-16(9-7-15)14-21-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyVXMPXYIZTNUSMI-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.17
Rot. Bonds3

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

4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 27517573) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID27517573
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15-6-8-16(9-7-15)14-21-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyVXMPXYIZTNUSMI-UHFFFAOYSA-N
XLogP3.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 134006291
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
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-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
4-[[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide
CID 111148783
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887
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-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 27517573) is 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is VXMPXYIZTNUSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15-6-8-16(9-7-15)14-21-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 27517573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).