2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C20H23N5O2 — CID 136697975

IUPAC2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc(=O)[nH]1
InChIInChI=1S/C20H23N5O2/c1-13-6-3-4-8-16(13)20-23-19(27-24-20)12-25-9-5-7-15(11-25)17-10-18(26)22-14(2)21-17/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,21,22,26)/t15-/m0/s1
InChIKeyMDMUGXJLYSLBJT-HNNXBMFYSA-N
MW365.44 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136697975) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136697975
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc(=O)[nH]1
InChIInChI=1S/C20H23N5O2/c1-13-6-3-4-8-16(13)20-23-19(27-24-20)12-25-9-5-7-15(11-25)17-10-18(26)22-14(2)21-17/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,21,22,26)/t15-/m0/s1
InChIKeyMDMUGXJLYSLBJT-HNNXBMFYSA-N
XLogP2.82
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
CID 136706472
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893
2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
N-(3,4-dichlorophenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929627
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
N-(4-iodo-2-methylphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136697975) is 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2CCCN(Cc3nc(-c4ccccc4C)no3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is MDMUGXJLYSLBJT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-6-3-4-8-16(13)20-23-19(27-24-20)12-25-9-5-7-15(11-25)17-10-18(26)22-14(2)21-17/h3-4,6,8,10,15H,5,7,9,11-12H2,1-2H3,(H,21,22,26)/t15-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 365.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136697975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).