1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone

C23H34N6O2 — CID 160768600

IUPAC1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
SMILESC1CNCCN1.CC(=O)c1ccc(C)nc1.CC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H15N3O.C8H9NO.C4H10N2/c1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-6-3-4-8(5-9-6)7(2)10;1-2-6-4-3-5-1/h2-3,8,12H,4-7H2,1H3;3-5H,1-2H3;5-6H,1-4H2
InChIKeyRZAAMKAQOYONIM-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.47
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone

1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone (PubChem CID 160768600) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
PubChem CID160768600
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
SMILESC1CNCCN1.CC(=O)c1ccc(C)nc1.CC(=O)c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C11H15N3O.C8H9NO.C4H10N2/c1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-6-3-4-8(5-9-6)7(2)10;1-2-6-4-3-5-1/h2-3,8,12H,4-7H2,1H3;3-5H,1-2H3;5-6H,1-4H2
InChIKeyRZAAMKAQOYONIM-UHFFFAOYSA-N
XLogP1.47
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
Dipyridodiazepinone deriv. 8
CID 463137
Dipyridodiazepinone deriv. 5
CID 463543
2,3-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453340
Dipyridodiazepinone deriv. 7
CID 463136
Dipyridodiazepinone deriv. 67
CID 463194
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
3-{2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}propanamide
CID 470720
Dipyridodiazepinone deriv. 9
CID 463138
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N,N-dimethyl-2-[3-[4-(2-propylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10764021

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone (CID 160768600) is 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone is C1CNCCN1.CC(=O)c1ccc(C)nc1.CC(=O)c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone?
The InChIKey is RZAAMKAQOYONIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C8H9NO.C4H10N2/c1-9(15)10-2-3-11(13-8-10)14-6-4-12-5-7-14;1-6-3-4-8(5-9-6)7(2)10;1-2-6-4-3-5-1/h2-3,8,12H,4-7H2,1H3;3-5H,1-2H3;5-6H,1-4H2.
What are the key properties of 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone?
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone has a molecular weight of 426.57 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 160768600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).