[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

C16H24N4O2 — CID 166600805

IUPAC[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC(C(=O)N3CCOCC3)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-2-13-11-17-16(18-12-13)20-5-3-14(4-6-20)15(21)19-7-9-22-10-8-19/h11-12,14H,2-10H2,1H3
InChIKeyLXUOMJAQFLJMQO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.11
Rot. Bonds3

About [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone

[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 166600805) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID166600805
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCc1cnc(N2CCC(C(=O)N3CCOCC3)CC2)nc1
InChIInChI=1S/C16H24N4O2/c1-2-13-11-17-16(18-12-13)20-5-3-14(4-6-20)15(21)19-7-9-22-10-8-19/h11-12,14H,2-10H2,1H3
InChIKeyLXUOMJAQFLJMQO-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-Methyl-1,4'-bipiperidin-1'-yl][2-(morpholin-4-yl)pyrimidin-5-yl]methanone
CID 118166529
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
[2-[1-(2-Methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636278
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
1-[(5aR,9aS)-8-(5-ethylpyrimidin-2-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97511587
[4-[(2-Methoxypyrimidin-5-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268377
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
N,N-dimethyl-2-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 118745728

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone (CID 166600805) is [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is CCc1cnc(N2CCC(C(=O)N3CCOCC3)CC2)nc1.
What is the InChIKey of [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LXUOMJAQFLJMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-13-11-17-16(18-12-13)20-5-3-14(4-6-20)15(21)19-7-9-22-10-8-19/h11-12,14H,2-10H2,1H3.
What are the key properties of [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone?
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 166600805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).