1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone

C23H25N3O2 — CID 122268077

IUPAC1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3cccc4ccccc34)C2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-17-14-24-23(25-15-17)28-20-10-6-12-26(16-20)22(27)13-19-9-5-8-18-7-3-4-11-21(18)19/h3-5,7-9,11,14-15,20H,2,6,10,12-13,16H2,1H3
InChIKeyHGYKVMXCPDUNKQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.80
Rot. Bonds5

About 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 122268077) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID122268077
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3cccc4ccccc34)C2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-17-14-24-23(25-15-17)28-20-10-6-12-26(16-20)22(27)13-19-9-5-8-18-7-3-4-11-21(18)19/h3-5,7-9,11,14-15,20H,2,6,10,12-13,16H2,1H3
InChIKeyHGYKVMXCPDUNKQ-UHFFFAOYSA-N
XLogP3.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122268139
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122268059
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone (CID 122268077) is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone is CCc1cnc(OC2CCCN(C(=O)Cc3cccc4ccccc34)C2)nc1.
What is the InChIKey of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is HGYKVMXCPDUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-17-14-24-23(25-15-17)28-20-10-6-12-26(16-20)22(27)13-19-9-5-8-18-7-3-4-11-21(18)19/h3-5,7-9,11,14-15,20H,2,6,10,12-13,16H2,1H3.
What are the key properties of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone?
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 375.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 122268077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).