5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one

C23H22N2O2 — CID 163258568

IUPAC5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c(C4(O)CCN(Cc5ccccc5)CC4)ccc1c23
InChIInChI=1S/C23H22N2O2/c26-22-18-9-10-19(17-7-4-8-20(24-22)21(17)18)23(27)11-13-25(14-12-23)15-16-5-2-1-3-6-16/h1-10,27H,11-15H2,(H,24,26)
InChIKeyCMWZLMQMNGWSIJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.89
Rot. Bonds3

About 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one

5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one (PubChem CID 163258568) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one
PubChem CID163258568
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2cccc3c(C4(O)CCN(Cc5ccccc5)CC4)ccc1c23
InChIInChI=1S/C23H22N2O2/c26-22-18-9-10-19(17-7-4-8-20(24-22)21(17)18)23(27)11-13-25(14-12-23)15-16-5-2-1-3-6-16/h1-10,27H,11-15H2,(H,24,26)
InChIKeyCMWZLMQMNGWSIJ-UHFFFAOYSA-N
XLogP3.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
6-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[cd]indol-2-one
CID 155194678
7-(4-benzylpiperazin-1-yl)-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
CID 163257979
1-benzyl-4-(2-benzylphenyl)piperidin-4-ol;hydrochloride
CID 12563566
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
3-[6-(1-benzyl-4-hydroxypiperidin-4-yl)-3-oxo-7-(trifluoromethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177017756
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(3E)-3-(4-benzylpiperazin-1-yl)imino-1H-indol-2-one
CID 135505311
6-[[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methyl]-1H-benzo[cd]indol-2-one
CID 155194505
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one?
The IUPAC name of 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one (CID 163258568) is 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one?
The canonical SMILES for 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one is O=C1Nc2cccc3c(C4(O)CCN(Cc5ccccc5)CC4)ccc1c23.
What is the InChIKey of 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one?
The InChIKey is CMWZLMQMNGWSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-18-9-10-19(17-7-4-8-20(24-22)21(17)18)23(27)11-13-25(14-12-23)15-16-5-2-1-3-6-16/h1-10,27H,11-15H2,(H,24,26).
What are the key properties of 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one?
5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-4-hydroxypiperidin-4-yl)-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 163258568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).