N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide

C25H27N3O2 — CID 1048420

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-30-24-13-7-21(8-14-24)25(29)26-22-9-11-23(12-10-22)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyDRURQEURDWWXKK-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 1048420) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide
PubChem CID1048420
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-30-24-13-7-21(8-14-24)25(29)26-22-9-11-23(12-10-22)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyDRURQEURDWWXKK-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Vesnarinone
CID 5663
GR-103691
CID 4302960
3-Amino-4-methoxybenzanilide
CID 8426
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide (CID 1048420) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is DRURQEURDWWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-24-13-7-21(8-14-24)25(29)26-22-9-11-23(12-10-22)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 401.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 1048420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).