[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone

C25H25N3O3 — CID 122257702

IUPAC[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C25H25N3O3/c1-17-15-18(2)27-25(26-17)31-20-11-8-14-28(16-20)24(30)22-13-7-6-12-21(22)23(29)19-9-4-3-5-10-19/h3-7,9-10,12-13,15,20H,8,11,14,16H2,1-2H3
InChIKeyKBTCDHWAOICUAU-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.01
Rot. Bonds5

About [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone

[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 122257702) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID122257702
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C25H25N3O3/c1-17-15-18(2)27-25(26-17)31-20-11-8-14-28(16-20)24(30)22-13-7-6-12-21(22)23(29)19-9-4-3-5-10-19/h3-7,9-10,12-13,15,20H,8,11,14,16H2,1-2H3
InChIKeyKBTCDHWAOICUAU-UHFFFAOYSA-N
XLogP4.01
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122257888
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122257905
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122257847
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 122257957

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone (CID 122257702) is [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone is Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)n1.
What is the InChIKey of [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is KBTCDHWAOICUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-15-18(2)27-25(26-17)31-20-11-8-14-28(16-20)24(30)22-13-7-6-12-21(22)23(29)19-9-4-3-5-10-19/h3-7,9-10,12-13,15,20H,8,11,14,16H2,1-2H3.
What are the key properties of [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 415.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 122257702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).