4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide

C26H31N3O2+2 — CID 7480755

IUPAC4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C[NH+]3CC[NH+](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)/p+2
InChIKeyLPKHVAZVSHKFOO-UHFFFAOYSA-P
MW417.55 g/mol
LogP1.43
Rot. Bonds7

About 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide

4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 7480755) has the molecular formula C26H31N3O2+2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
PubChem CID7480755
Molecular FormulaC26H31N3O2+2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(C[NH+]3CC[NH+](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)/p+2
InChIKeyLPKHVAZVSHKFOO-UHFFFAOYSA-P
XLogP1.43
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 4231772
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8594586
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide (CID 7480755) is 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(C[NH+]3CC[NH+](Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is LPKHVAZVSHKFOO-UHFFFAOYSA-P. 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)/p+2.
What are the key properties of 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide?
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 7480755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).