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

C16H22N2O2 — CID 63090647

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
SMILESNC1CCc2c(OCC(=O)N3CCCCC3)cccc21
InChIInChI=1S/C16H22N2O2/c17-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)18-9-2-1-3-10-18/h4-6,14H,1-3,7-11,17H2
InChIKeyRBCNHUCRFZEOFL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.02
Rot. Bonds3

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

2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone (PubChem CID 63090647) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
PubChem CID63090647
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
SMILESNC1CCc2c(OCC(=O)N3CCCCC3)cccc21
InChIInChI=1S/C16H22N2O2/c17-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)18-9-2-1-3-10-18/h4-6,14H,1-3,7-11,17H2
InChIKeyRBCNHUCRFZEOFL-UHFFFAOYSA-N
XLogP2.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone
CID 63090854
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylpropan-1-one
CID 63090818
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopentylacetamide
CID 63090820
2-(2-amino-3-hydroxyphenoxy)-1-(azepan-1-yl)ethanone
CID 114764292
2-(2-amino-3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 114764422
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63091521
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191
methyl 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpropanoate
CID 79629209
1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone (CID 63090647) is 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone is NC1CCc2c(OCC(=O)N3CCCCC3)cccc21.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
The InChIKey is RBCNHUCRFZEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-8-7-13-12(14)5-4-6-15(13)20-11-16(19)18-9-2-1-3-10-18/h4-6,14H,1-3,7-11,17H2.
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone?
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-1-piperidin-1-ylethanone has a molecular weight of 274.36 g/mol, XLogP of 2.02, 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-ylethanone is sourced from PubChem (CID 63090647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).