N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide

C26H35N3O2 — CID 59144676

IUPACN-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
SMILESCOc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C26H35N3O2/c1-27(23-11-4-3-5-12-23)26(30)22-10-8-9-21(19-22)20-28-15-17-29(18-16-28)24-13-6-7-14-25(24)31-2/h6-10,13-14,19,23H,3-5,11-12,15-18,20H2,1-2H3
InChIKeySMFYZBFRQKAPGV-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.42
Rot. Bonds6

About N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide

N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide (PubChem CID 59144676) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
PubChem CID59144676
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide
SMILESCOc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C26H35N3O2/c1-27(23-11-4-3-5-12-23)26(30)22-10-8-9-21(19-22)20-28-15-17-29(18-16-28)24-13-6-7-14-25(24)31-2/h6-10,13-14,19,23H,3-5,11-12,15-18,20H2,1-2H3
InChIKeySMFYZBFRQKAPGV-UHFFFAOYSA-N
XLogP4.42
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 46054196
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 46043451
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920566
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78807930
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-benzyl-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 46043371
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46054193
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide (CID 59144676) is N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide is COc1ccccc1N1CCN(Cc2cccc(C(=O)N(C)C3CCCCC3)c2)CC1.
What is the InChIKey of N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
The InChIKey is SMFYZBFRQKAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-27(23-11-4-3-5-12-23)26(30)22-10-8-9-21(19-22)20-28-15-17-29(18-16-28)24-13-6-7-14-25(24)31-2/h6-10,13-14,19,23H,3-5,11-12,15-18,20H2,1-2H3.
What are the key properties of N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide?
N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide has a molecular weight of 421.59 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 59144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).