1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium

C48H61N4OY- — CID 159697934

IUPAC1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium
SMILESCC(=O)N1CCC(c2ccc(NC3CCc4cccc(C)c43)c(C)c2C)CC1.Cc1cccc2c1C(Nc1ccc(C3CC[N-]CC3)c(C)c1C)CC2.[Y]
InChIInChI=1S/C25H32N2O.C23H29N2.Y/c1-16-6-5-7-21-8-10-24(25(16)21)26-23-11-9-22(17(2)18(23)3)20-12-14-27(15-13-20)19(4)28;1-15-5-4-6-19-7-9-22(23(15)19)25-21-10-8-20(16(2)17(21)3)18-11-13-24-14-12-18;/h5-7,9,11,20,24,26H,8,10,12-15H2,1-4H3;4-6,8,10,18,22,25H,7,9,11-14H2,1-3H3;/q;-1;
InChIKeyMUKHILLKVFLLKN-UHFFFAOYSA-N
MW798.95 g/mol
LogP11.40
Rot. Bonds6

About 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium

1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium (PubChem CID 159697934) has the molecular formula C48H61N4OY- and a molecular weight of 798.95 g/mol. Its IUPAC name is 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium.

Molecular Properties

Compound Name1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium
PubChem CID159697934
Molecular FormulaC48H61N4OY-
Molecular Weight798.95 g/mol
Exact Mass798.39
IUPAC Name1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium
SMILESCC(=O)N1CCC(c2ccc(NC3CCc4cccc(C)c43)c(C)c2C)CC1.Cc1cccc2c1C(Nc1ccc(C3CC[N-]CC3)c(C)c1C)CC2.[Y]
InChIInChI=1S/C25H32N2O.C23H29N2.Y/c1-16-6-5-7-21-8-10-24(25(16)21)26-23-11-9-22(17(2)18(23)3)20-12-14-27(15-13-20)19(4)28;1-15-5-4-6-19-7-9-22(23(15)19)25-21-10-8-20(16(2)17(21)3)18-11-13-24-14-12-18;/h5-7,9,11,20,24,26H,8,10,12-15H2,1-4H3;4-6,8,10,18,22,25H,7,9,11-14H2,1-3H3;/q;-1;
InChIKeyMUKHILLKVFLLKN-UHFFFAOYSA-N
XLogP11.40
TPSA58.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.95
LogP ≤ 511.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium with MolForge

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Related Compounds

[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-methylphenyl]piperidin-1-yl]-cyclopropylmethanone
CID 118627902
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 167740174
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
CID 67480098
1-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]ethanone
CID 58610266
2-cyclopropyl-1-[4-[4-[[7-[6-(3-ethyl-5-methylpyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoro-5-methylphenyl]piperidin-1-yl]ethanone
CID 130199947
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
1-[3-[3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylanilino]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 118627950
7-[2-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid
CID 166721529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium?
The IUPAC name of 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium (CID 159697934) is 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium.
What is the SMILES notation for 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium?
The canonical SMILES for 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium is CC(=O)N1CCC(c2ccc(NC3CCc4cccc(C)c43)c(C)c2C)CC1.Cc1cccc2c1C(Nc1ccc(C3CC[N-]CC3)c(C)c1C)CC2.[Y].
What is the InChIKey of 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium?
The InChIKey is MUKHILLKVFLLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O.C23H29N2.Y/c1-16-6-5-7-21-8-10-24(25(16)21)26-23-11-9-22(17(2)18(23)3)20-12-14-27(15-13-20)19(4)28;1-15-5-4-6-19-7-9-22(23(15)19)25-21-10-8-20(16(2)17(21)3)18-11-13-24-14-12-18;/h5-7,9,11,20,24,26H,8,10,12-15H2,1-4H3;4-6,8,10,18,22,25H,7,9,11-14H2,1-3H3;/q;-1;.
What are the key properties of 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium?
1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium has a molecular weight of 798.95 g/mol, XLogP of 11.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-dimethyl-4-[(7-methyl-2,3-dihydro-1H-inden-1-yl)amino]phenyl]piperidin-1-yl]ethanone;N-(2,3-dimethyl-4-piperidin-1-id-4-ylphenyl)-7-methyl-2,3-dihydro-1H-inden-1-amine;yttrium is sourced from PubChem (CID 159697934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).