[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C21H26N4O3 — CID 70721483

IUPAC[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-16-3-2-4-19(13-16)28-18-5-7-24(8-6-18)20(26)17-14-22-21(23-15-17)25-9-11-27-12-10-25/h2-4,13-15,18H,5-12H2,1H3
InChIKeyXFAGSNQOJFGYQO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.31
Rot. Bonds4

About [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 70721483) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID70721483
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESCc1cccc(OC2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-16-3-2-4-19(13-16)28-18-5-7-24(8-6-18)20(26)17-14-22-21(23-15-17)25-9-11-27-12-10-25/h2-4,13-15,18H,5-12H2,1H3
InChIKeyXFAGSNQOJFGYQO-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
1-methyl-4-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70744251
[4-(4-fluorophenoxy)piperidin-1-yl]-(2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 46971656
morpholin-4-yl-[3-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42466032
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 56875888
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 70721483) is [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is Cc1cccc(OC2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)c1.
What is the InChIKey of [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is XFAGSNQOJFGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-3-2-4-19(13-16)28-18-5-7-24(8-6-18)20(26)17-14-22-21(23-15-17)25-9-11-27-12-10-25/h2-4,13-15,18H,5-12H2,1H3.
What are the key properties of [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70721483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).