[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone

C23H31N3O2 — CID 126431087

IUPAC[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cnc(C)nc1-c1ccc(C(=O)N2CCCC[C@@H]2CCOC)cc1
InChIInChI=1S/C23H31N3O2/c1-4-7-20-16-24-17(2)25-22(20)18-9-11-19(12-10-18)23(27)26-14-6-5-8-21(26)13-15-28-3/h9-12,16,21H,4-8,13-15H2,1-3H3/t21-/m1/s1
InChIKeyDFWTYXOESBYHBG-OAQYLSRUSA-N
MW381.52 g/mol
LogP4.44
Rot. Bonds7

About [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone

[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone (PubChem CID 126431087) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
PubChem CID126431087
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cnc(C)nc1-c1ccc(C(=O)N2CCCC[C@@H]2CCOC)cc1
InChIInChI=1S/C23H31N3O2/c1-4-7-20-16-24-17(2)25-22(20)18-9-11-19(12-10-18)23(27)26-14-6-5-8-21(26)13-15-28-3/h9-12,16,21H,4-8,13-15H2,1-3H3/t21-/m1/s1
InChIKeyDFWTYXOESBYHBG-OAQYLSRUSA-N
XLogP4.44
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone with MolForge

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Related Compounds

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 121497442
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 126423940
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
[4-(5-chloro-2-hydroxyphenyl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126437570
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-(2-methyl-4-phenylpyrimidin-5-yl)methanone
CID 95861478
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
[2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 119105809
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone (CID 126431087) is [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone is CCCc1cnc(C)nc1-c1ccc(C(=O)N2CCCC[C@@H]2CCOC)cc1.
What is the InChIKey of [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The InChIKey is DFWTYXOESBYHBG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-7-20-16-24-17(2)25-22(20)18-9-11-19(12-10-18)23(27)26-14-6-5-8-21(26)13-15-28-3/h9-12,16,21H,4-8,13-15H2,1-3H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone has a molecular weight of 381.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone is sourced from PubChem (CID 126431087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).