N-phenyl-N-(4-piperazin-1-ylphenyl)formamide

C17H19N3O — CID 57079014

IUPACN-phenyl-N-(4-piperazin-1-ylphenyl)formamide
SMILESO=CN(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H19N3O/c21-14-20(16-4-2-1-3-5-16)17-8-6-15(7-9-17)19-12-10-18-11-13-19/h1-9,14,18H,10-13H2
InChIKeyOHOXGZAZCLYCGT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds4

About N-phenyl-N-(4-piperazin-1-ylphenyl)formamide

N-phenyl-N-(4-piperazin-1-ylphenyl)formamide (PubChem CID 57079014) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-phenyl-N-(4-piperazin-1-ylphenyl)formamide.

Molecular Properties

Compound NameN-phenyl-N-(4-piperazin-1-ylphenyl)formamide
PubChem CID57079014
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-phenyl-N-(4-piperazin-1-ylphenyl)formamide
SMILESO=CN(c1ccccc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C17H19N3O/c21-14-20(16-4-2-1-3-5-16)17-8-6-15(7-9-17)19-12-10-18-11-13-19/h1-9,14,18H,10-13H2
InChIKeyOHOXGZAZCLYCGT-UHFFFAOYSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
1-(4-phenoxyphenyl)piperazine
CID 3017356
1-(4-benzylphenyl)piperazine
CID 4738749
aniline;1-phenylpiperazine
CID 175572624
magnesium;1-phenylpiperazine;propane;hydrobromide
CID 173457865
4-piperazin-1-ylphenol;dihydrobromide
CID 2723591
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
1-(4-ethenylphenyl)piperazine;methane
CID 159070972
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549
1-[3-[(E)-2-phenylethenyl]phenyl]piperazine
CID 56711809

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-piperazin-1-ylphenyl)formamide?
The IUPAC name of N-phenyl-N-(4-piperazin-1-ylphenyl)formamide (CID 57079014) is N-phenyl-N-(4-piperazin-1-ylphenyl)formamide.
What is the SMILES notation for N-phenyl-N-(4-piperazin-1-ylphenyl)formamide?
The canonical SMILES for N-phenyl-N-(4-piperazin-1-ylphenyl)formamide is O=CN(c1ccccc1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-phenyl-N-(4-piperazin-1-ylphenyl)formamide?
The InChIKey is OHOXGZAZCLYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-14-20(16-4-2-1-3-5-16)17-8-6-15(7-9-17)19-12-10-18-11-13-19/h1-9,14,18H,10-13H2.
What are the key properties of N-phenyl-N-(4-piperazin-1-ylphenyl)formamide?
N-phenyl-N-(4-piperazin-1-ylphenyl)formamide has a molecular weight of 281.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-piperazin-1-ylphenyl)formamide is sourced from PubChem (CID 57079014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).