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

C20H24FN3O — CID 38159048

IUPACN-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-16-4-2-3-5-18(16)15-23-10-12-24(13-11-23)20(25)22-14-17-6-8-19(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyAMWMHLUMQZGFBW-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.16
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 38159048) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID38159048
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-16-4-2-3-5-18(16)15-23-10-12-24(13-11-23)20(25)22-14-17-6-8-19(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyAMWMHLUMQZGFBW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-[(4-fluorophenyl)methyl]-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 50793188
4-[[[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019626
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 38159048) is N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CN1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is AMWMHLUMQZGFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-4-2-3-5-18(16)15-23-10-12-24(13-11-23)20(25)22-14-17-6-8-19(21)9-7-17/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 38159048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).