2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C18H23N5O — CID 110753947

IUPAC2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCN(c2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C18H23N5O/c1-21(2)17(15-6-5-8-19-14-15)18(24)23-12-10-22(11-13-23)16-7-3-4-9-20-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyAGFLFXIWLVEGTI-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.43
Rot. Bonds4

About 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110753947) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID110753947
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CCN(c2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C18H23N5O/c1-21(2)17(15-6-5-8-19-14-15)18(24)23-12-10-22(11-13-23)16-7-3-4-9-20-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyAGFLFXIWLVEGTI-UHFFFAOYSA-N
XLogP1.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
CID 110753896
1-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-2-pyridin-3-ylethanone
CID 110753929
2-morpholin-4-yl-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 72928474
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 126447706
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 110753947) is 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CN(C)C(C(=O)N1CCN(c2ccccn2)CC1)c1cccnc1.
What is the InChIKey of 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is AGFLFXIWLVEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21(2)17(15-6-5-8-19-14-15)18(24)23-12-10-22(11-13-23)16-7-3-4-9-20-16/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 325.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110753947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).