[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone

C26H30BrNO2 — CID 118627923

IUPAC[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCCc1cc(OC2CCc3cccc(Br)c32)ccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H30BrNO2/c1-2-17-16-21(30-24-11-8-19-4-3-5-23(27)25(19)24)9-10-22(17)18-12-14-28(15-13-18)26(29)20-6-7-20/h3-5,9-10,16,18,20,24H,2,6-8,11-15H2,1H3
InChIKeyUQNJGQWZHJNZAU-UHFFFAOYSA-N
MW468.44 g/mol
LogP6.19
Rot. Bonds5

About [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone

[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 118627923) has the molecular formula C26H30BrNO2 and a molecular weight of 468.44 g/mol. Its IUPAC name is [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone
PubChem CID118627923
Molecular FormulaC26H30BrNO2
Molecular Weight468.44 g/mol
Exact Mass467.15
IUPAC Name[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone
SMILESCCc1cc(OC2CCc3cccc(Br)c32)ccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C26H30BrNO2/c1-2-17-16-21(30-24-11-8-19-4-3-5-23(27)25(19)24)9-10-22(17)18-12-14-28(15-13-18)26(29)20-6-7-20/h3-5,9-10,16,18,20,24H,2,6-8,11-15H2,1H3
InChIKeyUQNJGQWZHJNZAU-UHFFFAOYSA-N
XLogP6.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[[(1S)-7-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-2-ethylphenyl]piperidine
CID 129246771
1-[3-[(3S)-3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246878
5-ethyl-1-[4-[(3S)-3-[3-ethyl-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]phenoxy]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 142797751
[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone
CID 118627902
ethyl 1-[3-[(3S)-3-[3-ethyl-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]phenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylate
CID 137370667
1-[3-[(3R)-3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246884
1-[5-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylanilino]-2,3-dihydro-1H-inden-4-yl]-2-methoxyphenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246908
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]cyclohexen-1-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626304
1-[6-[3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-5-methylthiophen-2-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 130203079
ethyl 1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 130200054
3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 137404756

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone (CID 118627923) is [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone is CCc1cc(OC2CCc3cccc(Br)c32)ccc1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is UQNJGQWZHJNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30BrNO2/c1-2-17-16-21(30-24-11-8-19-4-3-5-23(27)25(19)24)9-10-22(17)18-12-14-28(15-13-18)26(29)20-6-7-20/h3-5,9-10,16,18,20,24H,2,6-8,11-15H2,1H3.
What are the key properties of [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone?
[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 468.44 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 118627923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).