[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone

C16H23FN4O2 — CID 166291508

IUPAC[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c(F)c(N2CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H23FN4O2/c1-12-11-13(2)18-15(14(12)17)19-3-5-20(6-4-19)16(22)21-7-9-23-10-8-21/h11H,3-10H2,1-2H3
InChIKeyQXXUHUVERVMTHT-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.41
Rot. Bonds1

About [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 166291508) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID166291508
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c(F)c(N2CCN(C(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H23FN4O2/c1-12-11-13(2)18-15(14(12)17)19-3-5-20(6-4-19)16(22)21-7-9-23-10-8-21/h11H,3-10H2,1-2H3
InChIKeyQXXUHUVERVMTHT-UHFFFAOYSA-N
XLogP1.41
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,6-dimethyl-2-piperidin-1-yl-3-pyridinyl)-morpholin-4-ylmethanone
CID 102432924
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 133373263
N-[(4,6-dimethyl-2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 62286271
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339971
[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 70671595
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290
1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 61176874
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122340045
[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 25268149
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 166291508) is [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is Cc1cc(C)c(F)c(N2CCN(C(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is QXXUHUVERVMTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-12-11-13(2)18-15(14(12)17)19-3-5-20(6-4-19)16(22)21-7-9-23-10-8-21/h11H,3-10H2,1-2H3.
What are the key properties of [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 322.38 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166291508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).