[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone

C24H25N3O2 — CID 126440210

IUPAC[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
SMILESCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4ncc(C)cn4)cc3)c2)C1
InChIInChI=1S/C24H25N3O2/c1-17-14-25-23(26-15-17)19-10-8-18(9-11-19)20-5-3-6-21(13-20)24(28)27-12-4-7-22(16-27)29-2/h3,5-6,8-11,13-15,22H,4,7,12,16H2,1-2H3/t22-/m1/s1
InChIKeyHIZOKEQASJJPSF-JOCHJYFZSA-N
MW387.48 g/mol
LogP4.37
Rot. Bonds4

About [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone

[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone (PubChem CID 126440210) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
PubChem CID126440210
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
SMILESCO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4ncc(C)cn4)cc3)c2)C1
InChIInChI=1S/C24H25N3O2/c1-17-14-25-23(26-15-17)19-10-8-18(9-11-19)20-5-3-6-21(13-20)24(28)27-12-4-7-22(16-27)29-2/h3,5-6,8-11,13-15,22H,4,7,12,16H2,1-2H3/t22-/m1/s1
InChIKeyHIZOKEQASJJPSF-JOCHJYFZSA-N
XLogP4.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone with MolForge

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Related Compounds

(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
CID 126438840
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[3-(3H-benzimidazol-5-yl)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 126447935
3-[3-(3-methoxypiperidine-1-carbonyl)phenyl]chromen-2-one
CID 171389799
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
2-[3-[(3S)-3-propoxypiperidine-1-carbonyl]phenyl]pyridine-4-carboxylic acid
CID 125163547
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone?
The IUPAC name of [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone (CID 126440210) is [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone?
The canonical SMILES for [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone is CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4ncc(C)cn4)cc3)c2)C1.
What is the InChIKey of [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone?
The InChIKey is HIZOKEQASJJPSF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-14-25-23(26-15-17)19-10-8-18(9-11-19)20-5-3-6-21(13-20)24(28)27-12-4-7-22(16-27)29-2/h3,5-6,8-11,13-15,22H,4,7,12,16H2,1-2H3/t22-/m1/s1.
What are the key properties of [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone?
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 126440210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).