2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one

C21H27N3O2 — CID 70717649

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H27N3O2/c1-21(2,26-18-7-6-15-4-3-5-17(15)14-18)20(25)24-12-8-16(9-13-24)19-22-10-11-23-19/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,22,23)
InChIKeyMKJCTBZFPNHVJZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.46
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 70717649) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID70717649
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H27N3O2/c1-21(2,26-18-7-6-15-4-3-5-17(15)14-18)20(25)24-12-8-16(9-13-24)19-22-10-11-23-19/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,22,23)
InChIKeyMKJCTBZFPNHVJZ-UHFFFAOYSA-N
XLogP3.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 90650294
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
(5R)-9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95710956
5-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 70787298
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
9-[2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 90651795
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 70717649) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one is CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is MKJCTBZFPNHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,26-18-7-6-15-4-3-5-17(15)14-18)20(25)24-12-8-16(9-13-24)19-22-10-11-23-19/h6-7,10-11,14,16H,3-5,8-9,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 353.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 70717649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).