1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one

C14H21N3O — CID 81483874

IUPAC1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C14H21N3O/c1-14(2)11-15-9-10-17(14)13(18)7-6-12-5-3-4-8-16-12/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyPZIWPGYFXJSKLK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds3

About 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one

1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 81483874) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID81483874
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C14H21N3O/c1-14(2)11-15-9-10-17(14)13(18)7-6-12-5-3-4-8-16-12/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyPZIWPGYFXJSKLK-UHFFFAOYSA-N
XLogP1.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
CID 114289996
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one (CID 81483874) is 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one is CC1(C)CNCCN1C(=O)CCc1ccccn1.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is PZIWPGYFXJSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)11-15-9-10-17(14)13(18)7-6-12-5-3-4-8-16-12/h3-5,8,15H,6-7,9-11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 81483874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).