6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one

C21H30N2O2 — CID 85140213

IUPAC6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCN(C)CC1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C21H30N2O2/c1-3-22(2)15-18-8-4-5-12-23(18)21(25)14-16-10-11-19-17(13-16)7-6-9-20(19)24/h10-11,13,18H,3-9,12,14-15H2,1-2H3
InChIKeyZRVPZYFIXQRRDH-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.08
Rot. Bonds5

About 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one

6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 85140213) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID85140213
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCCN(C)CC1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C21H30N2O2/c1-3-22(2)15-18-8-4-5-12-23(18)21(25)14-16-10-11-19-17(13-16)7-6-9-20(19)24/h10-11,13,18H,3-9,12,14-15H2,1-2H3
InChIKeyZRVPZYFIXQRRDH-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

6-[2-[(2S)-2-(diethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 10043836
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 119466651
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521
2-(3,4-dichlorophenyl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636502
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidine-2-carboxamide
CID 146123465
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
2-[2-oxo-2-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10067110
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 11315337
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 85140213) is 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is CCN(C)CC1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZRVPZYFIXQRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-3-22(2)15-18-8-4-5-12-23(18)21(25)14-16-10-11-19-17(13-16)7-6-9-20(19)24/h10-11,13,18H,3-9,12,14-15H2,1-2H3.
What are the key properties of 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[[ethyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 85140213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).