2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone

C23H32N2O2 — CID 86955748

IUPAC2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CC2CCc3ccccc32)CC1
InChIInChI=1S/C23H32N2O2/c26-22(16-18-6-2-1-3-7-18)24-12-14-25(15-13-24)23(27)17-20-11-10-19-8-4-5-9-21(19)20/h4-5,8-9,18,20H,1-3,6-7,10-17H2
InChIKeyVLHMGXKOTKZIMD-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.75
Rot. Bonds4

About 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 86955748) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID86955748
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)CC2CCc3ccccc32)CC1
InChIInChI=1S/C23H32N2O2/c26-22(16-18-6-2-1-3-7-18)24-12-14-25(15-13-24)23(27)17-20-11-10-19-8-4-5-9-21(19)20/h4-5,8-9,18,20H,1-3,6-7,10-17H2
InChIKeyVLHMGXKOTKZIMD-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 86955427
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 97124240
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]ethanone
CID 86955627
2-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 138809140
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
4-hydroxy-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251534
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 125175375
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone (CID 86955748) is 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCN(C(=O)CC2CCc3ccccc32)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is VLHMGXKOTKZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-22(16-18-6-2-1-3-7-18)24-12-14-25(15-13-24)23(27)17-20-11-10-19-8-4-5-9-21(19)20/h4-5,8-9,18,20H,1-3,6-7,10-17H2.
What are the key properties of 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 368.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 86955748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).