(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone

C22H29N3O5 — CID 122259783

IUPAC(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H29N3O5/c1-4-27-18-12-16(13-19(28-5-2)21(18)29-6-3)22(26)25-11-7-8-17(14-25)30-20-9-10-23-15-24-20/h9-10,12-13,15,17H,4-8,11,14H2,1-3H3
InChIKeyIJFAPJWYIIWIQV-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.36
Rot. Bonds9

About (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone

(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone (PubChem CID 122259783) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
PubChem CID122259783
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H29N3O5/c1-4-27-18-12-16(13-19(28-5-2)21(18)29-6-3)22(26)25-11-7-8-17(14-25)30-20-9-10-23-15-24-20/h9-10,12-13,15,17H,4-8,11,14H2,1-3H3
InChIKeyIJFAPJWYIIWIQV-UHFFFAOYSA-N
XLogP3.36
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone (CID 122259783) is (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OCC)c1OCC.
What is the InChIKey of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is IJFAPJWYIIWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-4-27-18-12-16(13-19(28-5-2)21(18)29-6-3)22(26)25-11-7-8-17(14-25)30-20-9-10-23-15-24-20/h9-10,12-13,15,17H,4-8,11,14H2,1-3H3.
What are the key properties of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 415.49 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 122259783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).