2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H30N2O2 — CID 111113798

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(O)C1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O2/c1-15(23)16-10-12-22(13-11-16)14-20(24)21(2)19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,15-16,19,23H,5,7,9-14H2,1-2H3
InChIKeyQWSZDNCTOXICMB-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 111113798) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID111113798
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(O)C1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O2/c1-15(23)16-10-12-22(13-11-16)14-20(24)21(2)19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,15-16,19,23H,5,7,9-14H2,1-2H3
InChIKeyQWSZDNCTOXICMB-UHFFFAOYSA-N
XLogP2.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120775346
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
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-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
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
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
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
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 111113798) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(O)C1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QWSZDNCTOXICMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(23)16-10-12-22(13-11-16)14-20(24)21(2)19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,15-16,19,23H,5,7,9-14H2,1-2H3.
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 111113798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).