1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride

C20H29ClN2O2 — CID 119493437

IUPAC1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride
SMILESCNC1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-21-18-7-4-12-22(14-18)20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17;/h8-9,13,18,21H,2-7,10-12,14H2,1H3;1H
InChIKeySUQHWBAIGAJBBD-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.16
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride

1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride (PubChem CID 119493437) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride
PubChem CID119493437
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride
SMILESCNC1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-21-18-7-4-12-22(14-18)20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17;/h8-9,13,18,21H,2-7,10-12,14H2,1H3;1H
InChIKeySUQHWBAIGAJBBD-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride with MolForge

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Related Compounds

1-[4-(hydroxymethyl)azepan-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 129009097
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
1-[4-(aminomethyl)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride
CID 119423982
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 119635722
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 119373561
(3S)-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51962353
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 31612331
1-(2,5-dimethylphenyl)-4-[3-(methylamino)piperidin-1-yl]butane-1,4-dione
CID 119490854
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
(2R,3R)-2-methyl-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122114947
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 120818650
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 38391869

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride (CID 119493437) is 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride is CNC1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)C1.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride?
The InChIKey is SUQHWBAIGAJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-21-18-7-4-12-22(14-18)20(24)11-10-19(23)17-9-8-15-5-2-3-6-16(15)13-17;/h8-9,13,18,21H,2-7,10-12,14H2,1H3;1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride?
1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione;hydrochloride is sourced from PubChem (CID 119493437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).