N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide

C25H33N3O2 — CID 55847080

IUPACN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-19-12-20(2)17-28(16-19)18-23-11-7-6-10-22(23)14-26-25(30)15-27-24(29)13-21-8-4-3-5-9-21/h3-11,19-20H,12-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOQAJMGRTXBDJJL-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.14
Rot. Bonds8

About N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 55847080) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
PubChem CID55847080
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-19-12-20(2)17-28(16-19)18-23-11-7-6-10-22(23)14-26-25(30)15-27-24(29)13-21-8-4-3-5-9-21/h3-11,19-20H,12-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOQAJMGRTXBDJJL-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154834685
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55746930
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-tert-butyl-2-[[N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111384547
3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60517608
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030403

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide (CID 55847080) is N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide is CC1CC(C)CN(Cc2ccccc2CNC(=O)CNC(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is OQAJMGRTXBDJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19-12-20(2)17-28(16-19)18-23-11-7-6-10-22(23)14-26-25(30)15-27-24(29)13-21-8-4-3-5-9-21/h3-11,19-20H,12-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 407.56 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 55847080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).