4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide

C27H36N2O2 — CID 12002070

IUPAC4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
SMILESCN1CCC(Oc2cccc(CN(C)C(=O)c3ccc(C4CCCCC4)cc3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-28-17-15-25(16-18-28)31-26-10-6-7-21(19-26)20-29(2)27(30)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h6-7,10-14,19,22,25H,3-5,8-9,15-18,20H2,1-2H3
InChIKeyYLRKXJUMQVWTOI-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.48
Rot. Bonds6

About 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide

4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide (PubChem CID 12002070) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
PubChem CID12002070
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
SMILESCN1CCC(Oc2cccc(CN(C)C(=O)c3ccc(C4CCCCC4)cc3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-28-17-15-25(16-18-28)31-26-10-6-7-21(19-26)20-29(2)27(30)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h6-7,10-14,19,22,25H,3-5,8-9,15-18,20H2,1-2H3
InChIKeyYLRKXJUMQVWTOI-UHFFFAOYSA-N
XLogP5.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide with MolForge

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Related Compounds

N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 69193811
N-methyl-4-[(3S)-piperidin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 97202795
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42383715
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide (CID 12002070) is 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide is CN1CCC(Oc2cccc(CN(C)C(=O)c3ccc(C4CCCCC4)cc3)c2)CC1.
What is the InChIKey of 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
The InChIKey is YLRKXJUMQVWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-28-17-15-25(16-18-28)31-26-10-6-7-21(19-26)20-29(2)27(30)24-13-11-23(12-14-24)22-8-4-3-5-9-22/h6-7,10-14,19,22,25H,3-5,8-9,15-18,20H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide?
4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide has a molecular weight of 420.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-methyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide is sourced from PubChem (CID 12002070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).