4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide

C24H25N3O2 — CID 112983942

IUPAC4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-23-13-7-19(8-14-23)24(28)25-20-9-11-22(12-10-20)27-17-15-26(16-18-27)21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyVFYWNAFBRPLLKI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.27
Rot. Bonds5

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

4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112983942) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
PubChem CID112983942
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-23-13-7-19(8-14-23)24(28)25-20-9-11-22(12-10-20)27-17-15-26(16-18-27)21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyVFYWNAFBRPLLKI-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
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'}

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Related Compounds

N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide (CID 112983942) is 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is VFYWNAFBRPLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-23-13-7-19(8-14-23)24(28)25-20-9-11-22(12-10-20)27-17-15-26(16-18-27)21-5-3-2-4-6-21/h2-14H,15-18H2,1H3,(H,25,28).
What are the key properties of 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide?
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112983942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).