1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone

C24H29N3O — CID 118086016

IUPAC1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ccc(CN)cc32)cc1
InChIInChI=1S/C24H29N3O/c1-17-6-9-20(10-7-17)27-18(2)24(21-11-8-19(15-25)14-22(21)27)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16,25H2,1-2H3
InChIKeyUICAWMQSIHBVTF-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.37
Rot. Bonds5

About 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone

1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 118086016) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone
PubChem CID118086016
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ccc(CN)cc32)cc1
InChIInChI=1S/C24H29N3O/c1-17-6-9-20(10-7-17)27-18(2)24(21-11-8-19(15-25)14-22(21)27)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16,25H2,1-2H3
InChIKeyUICAWMQSIHBVTF-UHFFFAOYSA-N
XLogP4.37
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-isocyanophenyl)-2-methyl-6-propylindol-3-yl]-2-piperidin-1-ylethanone
CID 162026605
4-[6-(2-hydroxyethyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
CID 118078513
3-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanamide
CID 118078533
4-[2-methyl-6-(2-methylpropyl)-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
CID 155162027
4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
CID 118085809
N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]acetamide
CID 118086093
4-[6-(aminomethyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
CID 140919680
1-[1-(4-isocyanophenyl)-2,6-dimethylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
CID 140752348
3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanoic acid
CID 140752226
1-[6-ethenyl-1-(4-isocyanophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;1-[5-ethyl-1-(4-isocyanophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;4-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]butan-2-one;2-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]ethyl acetate
CID 158847710
2-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]acetic acid
CID 118078551
2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 170858004

Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone (CID 118086016) is 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone is Cc1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ccc(CN)cc32)cc1.
What is the InChIKey of 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is UICAWMQSIHBVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17-6-9-20(10-7-17)27-18(2)24(21-11-8-19(15-25)14-22(21)27)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,15-16,25H2,1-2H3.
What are the key properties of 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone?
1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 375.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 118086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).