[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone

C25H33N3O — CID 56904936

IUPAC[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
SMILESCN(CCc1ccccc1)C1(C(=O)N2CCCC(CN)C2)Cc2ccccc2C1
InChIInChI=1S/C25H33N3O/c1-27(15-13-20-8-3-2-4-9-20)25(16-22-11-5-6-12-23(22)17-25)24(29)28-14-7-10-21(18-26)19-28/h2-6,8-9,11-12,21H,7,10,13-19,26H2,1H3
InChIKeyALGSQAOEDCTVPU-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.90
Rot. Bonds6

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

[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone (PubChem CID 56904936) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
PubChem CID56904936
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
SMILESCN(CCc1ccccc1)C1(C(=O)N2CCCC(CN)C2)Cc2ccccc2C1
InChIInChI=1S/C25H33N3O/c1-27(15-13-20-8-3-2-4-9-20)25(16-22-11-5-6-12-23(22)17-25)24(29)28-14-7-10-21(18-26)19-28/h2-6,8-9,11-12,21H,7,10,13-19,26H2,1H3
InChIKeyALGSQAOEDCTVPU-UHFFFAOYSA-N
XLogP2.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
CID 42516002
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
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
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
N-[2-(dimethylamino)ethyl]-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56912729
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
2-[methyl(2-phenylethyl)amino]-N-[(3S)-oxan-3-yl]-1,3-dihydroindene-2-carboxamide
CID 95712632
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone (CID 56904936) is [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone is CN(CCc1ccccc1)C1(C(=O)N2CCCC(CN)C2)Cc2ccccc2C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
The InChIKey is ALGSQAOEDCTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-27(15-13-20-8-3-2-4-9-20)25(16-22-11-5-6-12-23(22)17-25)24(29)28-14-7-10-21(18-26)19-28/h2-6,8-9,11-12,21H,7,10,13-19,26H2,1H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone?
[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone has a molecular weight of 391.56 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone is sourced from PubChem (CID 56904936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).