1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C17H26N4O2 — CID 71866921

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1(C)COCCN1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2)14-23-12-11-21(17)16(22)13-19-7-9-20(10-8-19)15-5-3-4-6-18-15/h3-6H,7-14H2,1-2H3
InChIKeyHBPGYQOXOGEAGU-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.84
Rot. Bonds3

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

1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71866921) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71866921
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCC1(C)COCCN1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2)14-23-12-11-21(17)16(22)13-19-7-9-20(10-8-19)15-5-3-4-6-18-15/h3-6H,7-14H2,1-2H3
InChIKeyHBPGYQOXOGEAGU-UHFFFAOYSA-N
XLogP0.84
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004729
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120817988
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1483802
N-[(4S,5R)-5-hydroxy-4-methyl-9-pyridin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-morpholin-4-ylacetamide
CID 169413140

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71866921) is 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CC1(C)COCCN1C(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HBPGYQOXOGEAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2)14-23-12-11-21(17)16(22)13-19-7-9-20(10-8-19)15-5-3-4-6-18-15/h3-6H,7-14H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).