2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone

C15H24N4O — CID 110753896

IUPAC2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
SMILESCCN1CCN(C(=O)C(c2cccnc2)N(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-4-18-8-10-19(11-9-18)15(20)14(17(2)3)13-6-5-7-16-12-13/h5-7,12,14H,4,8-11H2,1-3H3
InChIKeyZKGLSQGQEAKLHA-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.85
Rot. Bonds4

About 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone

2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 110753896) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
PubChem CID110753896
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
SMILESCCN1CCN(C(=O)C(c2cccnc2)N(C)C)CC1
InChIInChI=1S/C15H24N4O/c1-4-18-8-10-19(11-9-18)15(20)14(17(2)3)13-6-5-7-16-12-13/h5-7,12,14H,4,8-11H2,1-3H3
InChIKeyZKGLSQGQEAKLHA-UHFFFAOYSA-N
XLogP0.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-2-pyridin-3-ylethanone
CID 110753929
2-(dimethylamino)-2-pyridin-3-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110753947
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97205848
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179
ethyl 4-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 110753942
3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97202274
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone (CID 110753896) is 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone is CCN1CCN(C(=O)C(c2cccnc2)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is ZKGLSQGQEAKLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-18-8-10-19(11-9-18)15(20)14(17(2)3)13-6-5-7-16-12-13/h5-7,12,14H,4,8-11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone?
2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 110753896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).