[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone

C18H21N3O4 — CID 118789099

IUPAC[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCOc1cc(-c2ccc(C(=O)N3CCCC(O)C3)cc2)nc(OC)n1
InChIInChI=1S/C18H21N3O4/c1-24-16-10-15(19-18(20-16)25-2)12-5-7-13(8-6-12)17(23)21-9-3-4-14(22)11-21/h5-8,10,14,22H,3-4,9,11H2,1-2H3
InChIKeyBQNCEDVECRNPJZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.76
Rot. Bonds4

About [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone

[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 118789099) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID118789099
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESCOc1cc(-c2ccc(C(=O)N3CCCC(O)C3)cc2)nc(OC)n1
InChIInChI=1S/C18H21N3O4/c1-24-16-10-15(19-18(20-16)25-2)12-5-7-13(8-6-12)17(23)21-9-3-4-14(22)11-21/h5-8,10,14,22H,3-4,9,11H2,1-2H3
InChIKeyBQNCEDVECRNPJZ-UHFFFAOYSA-N
XLogP1.76
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
CID 122572750
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 93033672
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone (CID 118789099) is [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone is COc1cc(-c2ccc(C(=O)N3CCCC(O)C3)cc2)nc(OC)n1.
What is the InChIKey of [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is BQNCEDVECRNPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-16-10-15(19-18(20-16)25-2)12-5-7-13(8-6-12)17(23)21-9-3-4-14(22)11-21/h5-8,10,14,22H,3-4,9,11H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone?
[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 343.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 118789099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).