6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one

C20H19N5O3 — CID 122568229

IUPAC6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
SMILESO=C(c1cccc(-c2cncc(=O)[nH]2)c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H19N5O3/c26-18-13-21-12-17(24-18)14-3-1-4-15(11-14)19(27)25-9-5-16(6-10-25)28-20-22-7-2-8-23-20/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,24,26)
InChIKeyUEMGNKWQCZJRTB-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.91
Rot. Bonds4

About 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one

6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one (PubChem CID 122568229) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
PubChem CID122568229
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
SMILESO=C(c1cccc(-c2cncc(=O)[nH]2)c1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H19N5O3/c26-18-13-21-12-17(24-18)14-3-1-4-15(11-14)19(27)25-9-5-16(6-10-25)28-20-22-7-2-8-23-20/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,24,26)
InChIKeyUEMGNKWQCZJRTB-UHFFFAOYSA-N
XLogP1.91
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 119071365
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162
6-[3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125437684
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146135225
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one (CID 122568229) is 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one is O=C(c1cccc(-c2cncc(=O)[nH]2)c1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one?
The InChIKey is UEMGNKWQCZJRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-18-13-21-12-17(24-18)14-3-1-4-15(11-14)19(27)25-9-5-16(6-10-25)28-20-22-7-2-8-23-20/h1-4,7-8,11-13,16H,5-6,9-10H2,(H,24,26).
What are the key properties of 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one?
6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one has a molecular weight of 377.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 122568229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).