2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide

C19H28FN3O — CID 75382694

IUPAC2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2c3cccc(F)c3CCC2C)CC1
InChIInChI=1S/C19H28FN3O/c1-13-6-7-15-16(4-3-5-17(15)20)19(13)22-14-8-10-23(11-9-14)12-18(24)21-2/h3-5,13-14,19,22H,6-12H2,1-2H3,(H,21,24)
InChIKeyXDYIHVGYNMTBHZ-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide

2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 75382694) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID75382694
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC2c3cccc(F)c3CCC2C)CC1
InChIInChI=1S/C19H28FN3O/c1-13-6-7-15-16(4-3-5-17(15)20)19(13)22-14-8-10-23(11-9-14)12-18(24)21-2/h3-5,13-14,19,22H,6-12H2,1-2H3,(H,21,24)
InChIKeyXDYIHVGYNMTBHZ-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527
1-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095078
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111861112
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95974141
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 71976301
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide
CID 119939513
N-methyl-2-[4-[[(5S)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]piperidin-1-yl]acetamide
CID 97062268
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939512

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide (CID 75382694) is 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC2c3cccc(F)c3CCC2C)CC1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is XDYIHVGYNMTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-13-6-7-15-16(4-3-5-17(15)20)19(13)22-14-8-10-23(11-9-14)12-18(24)21-2/h3-5,13-14,19,22H,6-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 333.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 75382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).