2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

C20H23N3O2 — CID 38453759

IUPAC2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-20(2,17-8-4-3-5-9-17)19(25)23-13-11-22(12-14-23)18(24)16-7-6-10-21-15-16/h3-10,15H,11-14H2,1-2H3
InChIKeyHQPJRZZBZRHLLO-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.34
Rot. Bonds3

About 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 38453759) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID38453759
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-20(2,17-8-4-3-5-9-17)19(25)23-13-11-22(12-14-23)18(24)16-7-6-10-21-15-16/h3-10,15H,11-14H2,1-2H3
InChIKeyHQPJRZZBZRHLLO-UHFFFAOYSA-N
XLogP2.34
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453800
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
1-[4-(3-chloro-4-hydroxybenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453677
N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide
CID 77012824
1-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 36561721
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (CID 38453759) is 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(C(=O)N1CCN(C(=O)c2cccnc2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is HQPJRZZBZRHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,17-8-4-3-5-9-17)19(25)23-13-11-22(12-14-23)18(24)16-7-6-10-21-15-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 38453759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).