1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one

C28H32N4O — CID 90259525

IUPAC1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
SMILESCNCC1(NC)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H32N4O/c1-29-18-28(30-2)23-11-3-4-12-24(23)32(27(28)33)21-13-15-31(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)26(19)20/h3-12,21,25,29-30H,13-18H2,1-2H3
InChIKeyXIOORDWRCGWHSN-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.58
Rot. Bonds5

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

1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one (PubChem CID 90259525) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one.

Molecular Properties

Compound Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
PubChem CID90259525
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one
SMILESCNCC1(NC)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C28H32N4O/c1-29-18-28(30-2)23-11-3-4-12-24(23)32(27(28)33)21-13-15-31(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)26(19)20/h3-12,21,25,29-30H,13-18H2,1-2H3
InChIKeyXIOORDWRCGWHSN-UHFFFAOYSA-N
XLogP3.58
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one?
The IUPAC name of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one (CID 90259525) is 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one.
What is the SMILES notation for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one?
The canonical SMILES for 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one is CNCC1(NC)C(=O)N(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one?
The InChIKey is XIOORDWRCGWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-29-18-28(30-2)23-11-3-4-12-24(23)32(27(28)33)21-13-15-31(16-14-21)25-17-20-9-5-7-19-8-6-10-22(25)26(19)20/h3-12,21,25,29-30H,13-18H2,1-2H3.
What are the key properties of 1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one?
1-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-(methylamino)-3-(methylaminomethyl)indol-2-one has a molecular weight of 440.59 g/mol, XLogP of 3.58, 5 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-(methylamino)-3-(methylaminomethyl)indol-2-one is sourced from PubChem (CID 90259525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).