2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide

C21H26N4O2 — CID 108963654

IUPAC2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-21(2,19(26)23-16-17-8-10-22-11-9-17)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,26)
InChIKeyJIQWWHXFPQVOQE-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds5

About 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide

2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 108963654) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID108963654
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O2/c1-21(2,19(26)23-16-17-8-10-22-11-9-17)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,26)
InChIKeyJIQWWHXFPQVOQE-UHFFFAOYSA-N
XLogP2.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108959832
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108963666
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
2,2-dimethyl-3-oxo-N-pentyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108964842
ethyl 4-[3-(benzylamino)-2,2-dimethyl-3-oxopropanoyl]piperazine-1-carboxylate
CID 108961528
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108961842
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 108963654) is 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide is CC(C)(C(=O)NCc1ccncc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is JIQWWHXFPQVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,19(26)23-16-17-8-10-22-11-9-17)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,26).
What are the key properties of 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide?
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 108963654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).