N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide

C25H26N4O2 — CID 17459059

IUPACN-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C25H26N4O2/c1-19-7-9-22(10-8-19)27-24(30)23(20-5-3-2-4-6-20)28-15-17-29(18-16-28)25(31)21-11-13-26-14-12-21/h2-14,23H,15-18H2,1H3,(H,27,30)
InChIKeyNTOGGBDLKAYSRL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.53
Rot. Bonds5

About N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 17459059) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID17459059
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C25H26N4O2/c1-19-7-9-22(10-8-19)27-24(30)23(20-5-3-2-4-6-20)28-15-17-29(18-16-28)25(31)21-11-13-26-14-12-21/h2-14,23H,15-18H2,1H3,(H,27,30)
InChIKeyNTOGGBDLKAYSRL-UHFFFAOYSA-N
XLogP3.53
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657072
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 16597867
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 95619276
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide (CID 17459059) is N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NTOGGBDLKAYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-7-9-22(10-8-19)27-24(30)23(20-5-3-2-4-6-20)28-15-17-29(18-16-28)25(31)21-11-13-26-14-12-21/h2-14,23H,15-18H2,1H3,(H,27,30).
What are the key properties of N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17459059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).