2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one

C17H24N2O2 — CID 63090818

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cccc2c1CCC2N)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-12(17(20)19-10-3-2-4-11-19)21-16-7-5-6-13-14(16)8-9-15(13)18/h5-7,12,15H,2-4,8-11,18H2,1H3
InChIKeyAFAHFVSCKNNBIX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.41
Rot. Bonds3

About 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 63090818) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one
PubChem CID63090818
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cccc2c1CCC2N)C(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-12(17(20)19-10-3-2-4-11-19)21-16-7-5-6-13-14(16)8-9-15(13)18/h5-7,12,15H,2-4,8-11,18H2,1H3
InChIKeyAFAHFVSCKNNBIX-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090647
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-chloro-6-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzenecarbothioamide
CID 114322986
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 100768275
2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107713064

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one (CID 63090818) is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one is CC(Oc1cccc2c1CCC2N)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one?
The InChIKey is AFAHFVSCKNNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(17(20)19-10-3-2-4-11-19)21-16-7-5-6-13-14(16)8-9-15(13)18/h5-7,12,15H,2-4,8-11,18H2,1H3.
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one?
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 63090818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).