1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C20H25N5O2 — CID 126468602

IUPAC1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(c2ncncc2-c2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C20H25N5O2/c26-19(25-8-10-27-11-9-25)14-24-7-1-2-17(13-24)20-18(12-22-15-23-20)16-3-5-21-6-4-16/h3-6,12,15,17H,1-2,7-11,13-14H2
InChIKeyMDEGKAMGNQHHDH-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.58
Rot. Bonds4

About 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 126468602) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID126468602
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(c2ncncc2-c2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C20H25N5O2/c26-19(25-8-10-27-11-9-25)14-24-7-1-2-17(13-24)20-18(12-22-15-23-20)16-3-5-21-6-4-16/h3-6,12,15,17H,1-2,7-11,13-14H2
InChIKeyMDEGKAMGNQHHDH-UHFFFAOYSA-N
XLogP1.58
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670177
2-(2-methylbenzimidazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110213945
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
2-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809063
(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670558
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
1-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 92617470
1-[(3S)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95806619
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 126468602) is 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is O=C(CN1CCCC(c2ncncc2-c2ccncc2)C1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is MDEGKAMGNQHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(25-8-10-27-11-9-25)14-24-7-1-2-17(13-24)20-18(12-22-15-23-20)16-3-5-21-6-4-16/h3-6,12,15,17H,1-2,7-11,13-14H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 367.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126468602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).