N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide

C25H33N3O2+2 — CID 8754346

IUPACN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CC=C(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C25H31N3O2/c29-25(20-27-12-10-22(11-13-27)21-6-2-1-3-7-21)26-18-23-8-4-5-9-24(23)19-28-14-16-30-17-15-28/h1-10H,11-20H2,(H,26,29)/p+2
InChIKeyVCNXJQJXUKJNMV-UHFFFAOYSA-P
MW407.56 g/mol
LogP0.09
Rot. Bonds7

About N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide

N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide (PubChem CID 8754346) has the molecular formula C25H33N3O2+2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
PubChem CID8754346
Molecular FormulaC25H33N3O2+2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CC=C(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCOCC1
InChIInChI=1S/C25H31N3O2/c29-25(20-27-12-10-22(11-13-27)21-6-2-1-3-7-21)26-18-23-8-4-5-9-24(23)19-28-14-16-30-17-15-28/h1-10H,11-20H2,(H,26,29)/p+2
InChIKeyVCNXJQJXUKJNMV-UHFFFAOYSA-P
XLogP0.09
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754286
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
N-[(4-methoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759536
N'-acetyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetohydrazide
CID 8555130
N'-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]benzohydrazide
CID 8758997
(2S)-2-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetyl]amino]-N-propylpropanamide
CID 8754290
N-(2-bromophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759524
N-(4-chlorophenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759457
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 21175532
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
N-(3,4-dimethylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759293

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide (CID 8754346) is N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide is O=C(C[NH+]1CC=C(c2ccccc2)CC1)NCc1ccccc1C[NH+]1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?
The InChIKey is VCNXJQJXUKJNMV-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H31N3O2/c29-25(20-27-12-10-22(11-13-27)21-6-2-1-3-7-21)26-18-23-8-4-5-9-24(23)19-28-14-16-30-17-15-28/h1-10H,11-20H2,(H,26,29)/p+2.
What are the key properties of N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide?
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8754346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).