4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide

C26H29N3O2 — CID 1362665

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-25-9-5-8-24(18-25)27-26(30)23-12-10-22(11-13-23)20-29-16-14-28(15-17-29)19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyLPKHVAZVSHKFOO-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.27
Rot. Bonds7

About 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide

4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 1362665) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
PubChem CID1362665
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H29N3O2/c1-31-25-9-5-8-24(18-25)27-26(30)23-12-10-22(11-13-23)20-29-16-14-28(15-17-29)19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyLPKHVAZVSHKFOO-UHFFFAOYSA-N
XLogP4.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide 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-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4851320
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71903002
4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-N-phenylbenzamide
CID 78898629
4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
1-(4-benzylpiperazin-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109026905
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide (CID 1362665) is 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is LPKHVAZVSHKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-25-9-5-8-24(18-25)27-26(30)23-12-10-22(11-13-23)20-29-16-14-28(15-17-29)19-21-6-3-2-4-7-21/h2-13,18H,14-17,19-20H2,1H3,(H,27,30).
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 1362665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).