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

C19H23N5O2 — CID 72847566

IUPACmorpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nccc(-c3cccnc3)n2)C1)N1CCOCC1
InChIInChI=1S/C19H23N5O2/c25-18(23-9-11-26-12-10-23)16-4-2-8-24(14-16)19-21-7-5-17(22-19)15-3-1-6-20-13-15/h1,3,5-7,13,16H,2,4,8-12,14H2
InChIKeyQGXNIUMUSOWFLL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.61
Rot. Bonds3

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

morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 72847566) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID72847566
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Namemorpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nccc(-c3cccnc3)n2)C1)N1CCOCC1
InChIInChI=1S/C19H23N5O2/c25-18(23-9-11-26-12-10-23)16-4-2-8-24(14-16)19-21-7-5-17(22-19)15-3-1-6-20-13-15/h1,3,5-7,13,16H,2,4,8-12,14H2
InChIKeyQGXNIUMUSOWFLL-UHFFFAOYSA-N
XLogP1.61
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
CID 165434652
3-[3-(morpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 155974260
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
morpholin-4-yl-[(3R)-1-(3-nitro-2-pyridinyl)piperidin-3-yl]methanone
CID 51532486
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone (CID 72847566) is morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2nccc(-c3cccnc3)n2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is QGXNIUMUSOWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(23-9-11-26-12-10-23)16-4-2-8-24(14-16)19-21-7-5-17(22-19)15-3-1-6-20-13-15/h1,3,5-7,13,16H,2,4,8-12,14H2.
What are the key properties of morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone?
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone has a molecular weight of 353.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 72847566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).