N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C18H21N3O — CID 723431

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyCDESFTSRAZNPBO-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.69
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 723431) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID723431
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyCDESFTSRAZNPBO-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 723431) is N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is CDESFTSRAZNPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)19-18(22)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 295.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 723431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).