N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide

C26H29N3O — CID 56518010

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
SMILESCN1CCN(c2ccccc2CNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-28-16-18-29(19-17-28)24-15-9-8-14-23(24)20-27-26(30)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyMMCJWGDOORSSLF-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.89
Rot. Bonds6

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide (PubChem CID 56518010) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
PubChem CID56518010
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
SMILESCN1CCN(c2ccccc2CNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-28-16-18-29(19-17-28)24-15-9-8-14-23(24)20-27-26(30)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,27,30)
InChIKeyMMCJWGDOORSSLF-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-phenoxy-2-phenylacetamide
CID 56517105
(2R)-2-methoxy-2-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 94866137
1-benzyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 56517580
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
benzyl N-[(2S)-3-methyl-1-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-1-oxobutan-2-yl]carbamate
CID 56518390
(E)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 56517919
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 56518374
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide (CID 56518010) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide is CN1CCN(c2ccccc2CNC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide?
The InChIKey is MMCJWGDOORSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28-16-18-29(19-17-28)24-15-9-8-14-23(24)20-27-26(30)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3,(H,27,30).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide has a molecular weight of 399.54 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 56518010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).