N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide

C30H36N4O2 — CID 97263096

IUPACN-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C30H36N4O2/c1-23(2)28(30(36)34-21-19-33(20-22-34)18-15-24-13-16-31-17-14-24)32-29(35)27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,16-17,23,27-28H,15,18-22H2,1-2H3,(H,32,35)/t28-/m1/s1
InChIKeyDZLDQINXDKSRDL-MUUNZHRXSA-N
MW484.64 g/mol
LogP3.74
Rot. Bonds9

About N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide

N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide (PubChem CID 97263096) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
PubChem CID97263096
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C30H36N4O2/c1-23(2)28(30(36)34-21-19-33(20-22-34)18-15-24-13-16-31-17-14-24)32-29(35)27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,16-17,23,27-28H,15,18-22H2,1-2H3,(H,32,35)/t28-/m1/s1
InChIKeyDZLDQINXDKSRDL-MUUNZHRXSA-N
XLogP3.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylbutanamide
CID 42697418
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 34580207
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 9226292
(2R)-2-amino-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 119838010
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517585
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 45370047
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide (CID 97263096) is N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide is CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide?
The InChIKey is DZLDQINXDKSRDL-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-23(2)28(30(36)34-21-19-33(20-22-34)18-15-24-13-16-31-17-14-24)32-29(35)27(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,16-17,23,27-28H,15,18-22H2,1-2H3,(H,32,35)/t28-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide?
N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide has a molecular weight of 484.64 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-oxo-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]butan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 97263096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).