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

C21H26FN3O — CID 35766423

IUPAC4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O/c1-16(2)17-7-9-19(10-8-17)23-21(26)25-13-11-24(12-14-25)15-18-5-3-4-6-20(18)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyPMCAJKYPRPPYFS-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.30
Rot. Bonds4

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

4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 35766423) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID35766423
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O/c1-16(2)17-7-9-19(10-8-17)23-21(26)25-13-11-24(12-14-25)15-18-5-3-4-6-20(18)22/h3-10,16H,11-15H2,1-2H3,(H,23,26)
InChIKeyPMCAJKYPRPPYFS-UHFFFAOYSA-N
XLogP4.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide
CID 17087629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107431
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
4-(3-phenylpropyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110107

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 35766423) is 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is PMCAJKYPRPPYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16(2)17-7-9-19(10-8-17)23-21(26)25-13-11-24(12-14-25)15-18-5-3-4-6-20(18)22/h3-10,16H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 35766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).