2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

C20H32ClN3O — CID 120775346

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCN(C(=O)CN1CCC(N)C(C)(C)C1)C1CCCc2ccccc21.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-20(2)14-23(12-11-18(20)21)13-19(24)22(3)17-10-6-8-15-7-4-5-9-16(15)17;/h4-5,7,9,17-18H,6,8,10-14,21H2,1-3H3;1H
InChIKeyZIECVAVZLSGMNU-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (PubChem CID 120775346) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
PubChem CID120775346
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCN(C(=O)CN1CCC(N)C(C)(C)C1)C1CCCc2ccccc21.Cl
InChIInChI=1S/C20H31N3O.ClH/c1-20(2)14-23(12-11-18(20)21)13-19(24)22(3)17-10-6-8-15-7-4-5-9-16(15)17;/h4-5,7,9,17-18H,6,8,10-14,21H2,1-3H3;1H
InChIKeyZIECVAVZLSGMNU-UHFFFAOYSA-N
XLogP3.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
N-methyl-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95287916
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348705
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 36738179
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95289244
2-(2,5-dimethylmorpholin-4-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75808665

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (CID 120775346) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is CN(C(=O)CN1CCC(N)C(C)(C)C1)C1CCCc2ccccc21.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The InChIKey is ZIECVAVZLSGMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c1-20(2)14-23(12-11-18(20)21)13-19(24)22(3)17-10-6-8-15-7-4-5-9-16(15)17;/h4-5,7,9,17-18H,6,8,10-14,21H2,1-3H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120775346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).