1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C13H23N3O — CID 70228626

IUPAC1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC1=CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H23N3O/c1-12-3-5-16(6-4-12)13(17)11-15-9-7-14(2)8-10-15/h3H,4-11H2,1-2H3
InChIKeyWVLRCFKJDUFLRL-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.41
Rot. Bonds2

About 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 70228626) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID70228626
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC1=CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H23N3O/c1-12-3-5-16(6-4-12)13(17)11-15-9-7-14(2)8-10-15/h3H,4-11H2,1-2H3
InChIKeyWVLRCFKJDUFLRL-UHFFFAOYSA-N
XLogP0.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Piperazine, 1-(4-methyl-1-piperazinylacetyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446869
4-ethyl-1-[(3E)-4-fluoro-2-methylidenehexa-3,5-dienyl]piperazin-2-one
CID 144473805
2-(Dimethylamino)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 55250933
2-(dimethylamino)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 57685228
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-1-ylethanone
CID 57812246
2-(dimethylamino)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 57812266
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 58525080
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-morpholin-4-ylethanone
CID 59011826
1-(3,6-dihydro-2H-pyridin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 67624983
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 70672436
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(dimethylamino)ethanone
CID 91175888
1-(4-But-2-en-2-ylpiperidin-1-yl)-2-(diethylamino)ethanone
CID 91586355

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 70228626) is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CC1=CCN(C(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WVLRCFKJDUFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-3-5-16(6-4-12)13(17)11-15-9-7-14(2)8-10-15/h3H,4-11H2,1-2H3.
What are the key properties of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 237.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70228626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).