2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

C16H24N4O2 — CID 172899457

IUPAC2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O2/c1-13-10-15(18-12-17-13)19-4-2-14(3-5-19)11-16(21)20-6-8-22-9-7-20/h10,12,14H,2-9,11H2,1H3
InChIKeyKGSHBEMFODQWRQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.25
Rot. Bonds3

About 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 172899457) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID172899457
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)ncn1
InChIInChI=1S/C16H24N4O2/c1-13-10-15(18-12-17-13)19-4-2-14(3-5-19)11-16(21)20-6-8-22-9-7-20/h10,12,14H,2-9,11H2,1H3
InChIKeyKGSHBEMFODQWRQ-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 171994054
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
2-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899976
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902586

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone (CID 172899457) is 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)ncn1.
What is the InChIKey of 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is KGSHBEMFODQWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-10-15(18-12-17-13)19-4-2-14(3-5-19)11-16(21)20-6-8-22-9-7-20/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 172899457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).