1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

C19H23NO2 — CID 82050994

IUPAC1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc2ccccc2c1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C19H23NO2/c1-14-9-11-20(12-10-14)13-17(21)19-16-6-4-3-5-15(16)7-8-18(19)22-2/h3-8,14H,9-13H2,1-2H3
InChIKeyDQZUQWGNBSHDOJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 82050994) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID82050994
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc2ccccc2c1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C19H23NO2/c1-14-9-11-20(12-10-14)13-17(21)19-16-6-4-3-5-15(16)7-8-18(19)22-2/h3-8,14H,9-13H2,1-2H3
InChIKeyDQZUQWGNBSHDOJ-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxynaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050990
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
2-methoxy-5-[2-(4-methylpiperidin-1-yl)acetyl]benzoic acid
CID 82052341
(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
CID 11515131
4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
CID 82263116
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
5-bromo-1-(2-methoxynaphthalen-1-yl)pentan-1-one
CID 146007275
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 82050994) is 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is COc1ccc2ccccc2c1C(=O)CN1CCC(C)CC1.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is DQZUQWGNBSHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-9-11-20(12-10-14)13-17(21)19-16-6-4-3-5-15(16)7-8-18(19)22-2/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 297.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82050994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).