4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide

C18H20FN3O — CID 71456901

IUPAC4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)18(23)20-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyWRTDIDPMQRGNNT-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.18
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 71456901) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID71456901
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)18(23)20-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyWRTDIDPMQRGNNT-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carbothioamide
CID 17263413
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
1-[(3-fluorophenyl)methyl]-N-phenyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 134070879
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 71456901) is 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is WRTDIDPMQRGNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-6-4-5-15(13-16)14-21-9-11-22(12-10-21)18(23)20-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2,(H,20,23).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 71456901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).