4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C23H29N3O2 — CID 60556216

IUPAC4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-4-3-13-26(16-18)17-21-7-5-19(6-8-21)14-24-23(27)22-11-9-20(10-12-22)15-25-28-2/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3,(H,24,27)/b25-15+
InChIKeyWXQDWKYFRLYCLS-MFKUBSTISA-N
MW379.50 g/mol
LogP3.83
Rot. Bonds7

About 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 60556216) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID60556216
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCO/N=C/c1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-4-3-13-26(16-18)17-21-7-5-19(6-8-21)14-24-23(27)22-11-9-20(10-12-22)15-25-28-2/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3,(H,24,27)/b25-15+
InChIKeyWXQDWKYFRLYCLS-MFKUBSTISA-N
XLogP3.83
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
4-[(3-methylpiperidin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918543
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-prop-2-enylbenzamide
CID 93490121
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
N-[(3-ethoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43907292
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46474057

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 60556216) is 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CO/N=C/c1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1.
What is the InChIKey of 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is WXQDWKYFRLYCLS-MFKUBSTISA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-4-3-13-26(16-18)17-21-7-5-19(6-8-21)14-24-23(27)22-11-9-20(10-12-22)15-25-28-2/h5-12,15,18H,3-4,13-14,16-17H2,1-2H3,(H,24,27)/b25-15+.
What are the key properties of 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 60556216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).