4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one

C20H25N3O4 — CID 136707435

IUPAC4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2CCCN(C(=O)COc3ccccc3OC)C2)n1
InChIInChI=1S/C20H25N3O4/c1-3-15-11-18(24)22-20(21-15)14-7-6-10-23(12-14)19(25)13-27-17-9-5-4-8-16(17)26-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,22,24)
InChIKeyXMWMDQLULIIROA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.13
Rot. Bonds6

About 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one

4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136707435) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136707435
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2CCCN(C(=O)COc3ccccc3OC)C2)n1
InChIInChI=1S/C20H25N3O4/c1-3-15-11-18(24)22-20(21-15)14-7-6-10-23(12-14)19(25)13-27-17-9-5-4-8-16(17)26-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,22,24)
InChIKeyXMWMDQLULIIROA-UHFFFAOYSA-N
XLogP2.13
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136816528
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
2-[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136735017
2-[(3S)-1-[2-(2,6-dimethoxyphenoxy)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850440
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136734998
4-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 125007547
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136707435) is 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(C2CCCN(C(=O)COc3ccccc3OC)C2)n1.
What is the InChIKey of 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is XMWMDQLULIIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-15-11-18(24)22-20(21-15)14-7-6-10-23(12-14)19(25)13-27-17-9-5-4-8-16(17)26-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3,(H,21,22,24).
What are the key properties of 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136707435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).