1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one

C28H30N2O3 — CID 123860057

IUPAC1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one
SMILESCC(O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H30N2O3/c1-18(31)17-28(33)23-10-2-3-11-24(23)30(27(28)32)21-12-14-29(15-13-21)25-16-20-8-4-6-19-7-5-9-22(25)26(19)20/h2-11,18,21,25,31,33H,12-17H2,1H3
InChIKeyVZQWDRAGVJMEJT-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.91
Rot. Bonds4

About 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one

1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one (PubChem CID 123860057) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one
PubChem CID123860057
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one
SMILESCC(O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H30N2O3/c1-18(31)17-28(33)23-10-2-3-11-24(23)30(27(28)32)21-12-14-29(15-13-21)25-16-20-8-4-6-19-7-5-9-22(25)26(19)20/h2-11,18,21,25,31,33H,12-17H2,1H3
InChIKeyVZQWDRAGVJMEJT-UHFFFAOYSA-N
XLogP3.91
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one with MolForge

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Related Compounds

3-(3-amino-2-hydroxypropyl)-1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxyindol-2-one
CID 86302759
2-[1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-2-oxoindol-3-yl]acetamide
CID 86303395
(3S)-3-[(2S)-3-amino-2-hydroxypropyl]-1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-methylindol-2-one
CID 90270857
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-[2-hydroxy-3-(methylamino)propyl]-3-methylindol-2-one
CID 90270716
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
CID 90259525
ethyl 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carboxylate
CID 90270713
3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 134231814
2-[3-hydroxy-1-[1-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 86305141
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-[1-(methylamino)ethenoxy]indol-2-one
CID 134231839
1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]spiro[1,3,2-dioxathiolane-4,3'-indole]-2'-one
CID 144663090
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methyl-3-(1,3-oxazol-2-ylmethyl)indol-2-one
CID 118529013
3-hydroxy-1-[1-(2-methyl-1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(2-oxobutyl)indol-2-one
CID 158172050

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one?
The IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one (CID 123860057) is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one.
What is the SMILES notation for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one?
The canonical SMILES for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one is CC(O)CC1(O)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one?
The InChIKey is VZQWDRAGVJMEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-18(31)17-28(33)23-10-2-3-11-24(23)30(27(28)32)21-12-14-29(15-13-21)25-16-20-8-4-6-19-7-5-9-22(25)26(19)20/h2-11,18,21,25,31,33H,12-17H2,1H3.
What are the key properties of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one?
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one has a molecular weight of 442.56 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-hydroxy-3-(2-hydroxypropyl)indol-2-one is sourced from PubChem (CID 123860057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).