1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone

C12H20N2O2 — CID 114409408

IUPAC1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
SMILESCC1=CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C12H20N2O2/c1-10-2-5-14(6-3-10)12(15)8-11-9-13-4-7-16-11/h2,11,13H,3-9H2,1H3
InChIKeyXWZMOLCMRHKIMH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone (PubChem CID 114409408) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
PubChem CID114409408
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone
SMILESCC1=CCN(C(=O)CC2CNCCO2)CC1
InChIInChI=1S/C12H20N2O2/c1-10-2-5-14(6-3-10)12(15)8-11-9-13-4-7-16-11/h2,11,13H,3-9H2,1H3
InChIKeyXWZMOLCMRHKIMH-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 113782018
2-morpholin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489867
N-ethyl-2-morpholin-2-ylprop-2-enamide
CID 66893127
N-(6-ethyl-3,4-dihydro-2H-pyran-3-yl)-2-morpholin-2-ylacetamide
CID 90981434
5-morpholin-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 174787408
2-methyl-5-morpholin-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 175254098
(3E)-N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 56720081
N-cyclohex-3-en-1-yl-2-morpholin-2-ylacetamide
CID 66428550
2-morpholin-2-yl-N,N-bis(prop-2-enyl)acetamide
CID 66432984
N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide
CID 66432985
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-2-ylacetamide
CID 66434162
N-[2-(4-ethylmorpholin-2-yl)ethyl]pent-3-enamide
CID 72072067

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone (CID 114409408) is 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone is CC1=CCN(C(=O)CC2CNCCO2)CC1.
What is the InChIKey of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
The InChIKey is XWZMOLCMRHKIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-2-5-14(6-3-10)12(15)8-11-9-13-4-7-16-11/h2,11,13H,3-9H2,1H3.
What are the key properties of 1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone?
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-morpholin-2-ylethanone has a molecular weight of 224.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 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-morpholin-2-ylethanone is sourced from PubChem (CID 114409408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).