azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone

C21H33N5O2 — CID 92612882

IUPACazepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1)N1CCCCCC1
InChIInChI=1S/C21H33N5O2/c27-20(25-10-3-1-2-4-11-25)18-6-5-9-24(16-18)17-19-7-8-22-21(23-19)26-12-14-28-15-13-26/h7-8,18H,1-6,9-17H2/t18-/m1/s1
InChIKeyWYMFKEKGJIWBRJ-GOSISDBHSA-N
MW387.53 g/mol
LogP1.93
Rot. Bonds4

About azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone

azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 92612882) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID92612882
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Nameazepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1)N1CCCCCC1
InChIInChI=1S/C21H33N5O2/c27-20(25-10-3-1-2-4-11-25)18-6-5-9-24(16-18)17-19-7-8-22-21(23-19)26-12-14-28-15-13-26/h7-8,18H,1-6,9-17H2/t18-/m1/s1
InChIKeyWYMFKEKGJIWBRJ-GOSISDBHSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
2,6-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]morpholine
CID 110225765
[(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95509656
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone (CID 92612882) is azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is WYMFKEKGJIWBRJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N5O2/c27-20(25-10-3-1-2-4-11-25)18-6-5-9-24(16-18)17-19-7-8-22-21(23-19)26-12-14-28-15-13-26/h7-8,18H,1-6,9-17H2/t18-/m1/s1.
What are the key properties of azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone?
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 387.53 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 92612882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).