N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C32H32ClN3O3 — CID 3810040

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C32H32ClN3O3/c1-38-31-21-26(9-16-30(31)39-23-25-7-10-27(33)11-8-25)32(37)34-28-12-14-29(15-13-28)36-19-17-35(18-20-36)22-24-5-3-2-4-6-24/h2-16,21H,17-20,22-23H2,1H3,(H,34,37)
InChIKeyARVVXLHBKVNWOA-UHFFFAOYSA-N
MW542.08 g/mol
LogP6.50
Rot. Bonds9

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 3810040) has the molecular formula C32H32ClN3O3 and a molecular weight of 542.08 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID3810040
Molecular FormulaC32H32ClN3O3
Molecular Weight542.08 g/mol
Exact Mass541.21
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C32H32ClN3O3/c1-38-31-21-26(9-16-30(31)39-23-25-7-10-27(33)11-8-25)32(37)34-28-12-14-29(15-13-28)36-19-17-35(18-20-36)22-24-5-3-2-4-6-24/h2-16,21H,17-20,22-23H2,1H3,(H,34,37)
InChIKeyARVVXLHBKVNWOA-UHFFFAOYSA-N
XLogP6.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.08
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-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

N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3553455
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 42313354
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-bromo-2-methoxybenzamide
CID 4500692
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 42315505

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 3810040) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is ARVVXLHBKVNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN3O3/c1-38-31-21-26(9-16-30(31)39-23-25-7-10-27(33)11-8-25)32(37)34-28-12-14-29(15-13-28)36-19-17-35(18-20-36)22-24-5-3-2-4-6-24/h2-16,21H,17-20,22-23H2,1H3,(H,34,37).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 542.08 g/mol, XLogP of 6.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 3810040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).