(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one

C19H27NO2 — CID 100768275

IUPAC(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
SMILESC[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)C1
InChIInChI=1S/C19H27NO2/c1-14-7-6-12-20(13-14)19(21)15(2)22-18-11-5-9-16-8-3-4-10-17(16)18/h5,9,11,14-15H,3-4,6-8,10,12-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyBSSFHXIWHZBOMI-CABCVRRESA-N
MW301.43 g/mol
LogP3.59
Rot. Bonds3

About (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one

(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one (PubChem CID 100768275) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
PubChem CID100768275
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
SMILESC[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)C1
InChIInChI=1S/C19H27NO2/c1-14-7-6-12-20(13-14)19(21)15(2)22-18-11-5-9-16-8-3-4-10-17(16)18/h5,9,11,14-15H,3-4,6-8,10,12-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyBSSFHXIWHZBOMI-CABCVRRESA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133228992
(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 125058665
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133200332
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133184610
2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 133261944
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one
CID 63090818
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The IUPAC name of (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one (CID 100768275) is (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one.
What is the SMILES notation for (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The canonical SMILES for (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one is C[C@@H]1CCCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)C1.
What is the InChIKey of (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
The InChIKey is BSSFHXIWHZBOMI-CABCVRRESA-N. The full InChI is InChI=1S/C19H27NO2/c1-14-7-6-12-20(13-14)19(21)15(2)22-18-11-5-9-16-8-3-4-10-17(16)18/h5,9,11,14-15H,3-4,6-8,10,12-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one?
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one is sourced from PubChem (CID 100768275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).