2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C19H23N3O — CID 95895283

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCc2ccccc21)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C19H23N3O/c23-18(13-16-6-5-14-3-1-2-4-17(14)16)22-11-7-15(8-12-22)19-20-9-10-21-19/h1-4,9-10,15-16H,5-8,11-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGQZRGZOIVDDGOV-MRXNPFEDSA-N
MW309.41 g/mol
LogP3.24
Rot. Bonds3

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95895283) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95895283
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(C[C@H]1CCc2ccccc21)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C19H23N3O/c23-18(13-16-6-5-14-3-1-2-4-17(14)16)22-11-7-15(8-12-22)19-20-9-10-21-19/h1-4,9-10,15-16H,5-8,11-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGQZRGZOIVDDGOV-MRXNPFEDSA-N
XLogP3.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(1H-imidazol-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 134704505
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 97124240
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 86955427
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 97154142
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 95895283) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(C[C@H]1CCc2ccccc21)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GQZRGZOIVDDGOV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O/c23-18(13-16-6-5-14-3-1-2-4-17(14)16)22-11-7-15(8-12-22)19-20-9-10-21-19/h1-4,9-10,15-16H,5-8,11-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 309.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95895283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).