(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone

C25H32N2O2 — CID 42516002

IUPAC(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
SMILESCOC1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C25H32N2O2/c1-26(15-12-20-8-4-3-5-9-20)25(18-21-10-6-7-11-22(21)19-25)24(28)27-16-13-23(29-2)14-17-27/h3-11,23H,12-19H2,1-2H3
InChIKeyJHBKIELISSMHNJ-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.34
Rot. Bonds6

About (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone

(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone (PubChem CID 42516002) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
PubChem CID42516002
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
SMILESCOC1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C25H32N2O2/c1-26(15-12-20-8-4-3-5-9-20)25(18-21-10-6-7-11-22(21)19-25)24(28)27-16-13-23(29-2)14-17-27/h3-11,23H,12-19H2,1-2H3
InChIKeyJHBKIELISSMHNJ-UHFFFAOYSA-N
XLogP3.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone with MolForge

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Related Compounds

[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
CID 56904936
1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
CID 56893485
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
CID 25301333
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 26319997
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
N-[2-(dimethylamino)ethyl]-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56912729
N-(2-hydroxypropyl)-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56892980
1-(4-methoxypiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107022640
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
2-[(3R)-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidin-3-yl]oxyacetic acid
CID 166263459
2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
CID 95712632

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone (CID 42516002) is (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone is COC1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The InChIKey is JHBKIELISSMHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-26(15-12-20-8-4-3-5-9-20)25(18-21-10-6-7-11-22(21)19-25)24(28)27-16-13-23(29-2)14-17-27/h3-11,23H,12-19H2,1-2H3.
What are the key properties of (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone has a molecular weight of 392.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone is sourced from PubChem (CID 42516002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).