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

C19H23N3O5 — CID 122259782

IUPAC(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)22-8-4-5-14(11-22)27-17-6-7-20-12-21-17/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeySZIRRYAMYNYMHY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.19
Rot. Bonds6

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

(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 122259782) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID122259782
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)22-8-4-5-14(11-22)27-17-6-7-20-12-21-17/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeySZIRRYAMYNYMHY-UHFFFAOYSA-N
XLogP2.19
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(3-pyrimidin-4-yloxypiperidin-1-yl)-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 122259902
[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
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259907
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 122259782) is (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCCC(Oc3ccncn3)C2)cc(OC)c1OC.
What is the InChIKey of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SZIRRYAMYNYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)22-8-4-5-14(11-22)27-17-6-7-20-12-21-17/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3.
What are the key properties of (3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 373.41 g/mol, XLogP of 2.19, 6 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-trimethoxyphenyl)methanone is sourced from PubChem (CID 122259782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).