4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide

C23H25N3O2 — CID 118085809

IUPAC4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
SMILESCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H25N3O2/c1-16-22(21(27)15-25-13-5-2-6-14-25)19-7-3-4-8-20(19)26(16)18-11-9-17(10-12-18)23(24)28/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,24,28)
InChIKeyIGDNPXXKYGGIHV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.71
Rot. Bonds5

About 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide

4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide (PubChem CID 118085809) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide.

Molecular Properties

Compound Name4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
PubChem CID118085809
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide
SMILESCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C23H25N3O2/c1-16-22(21(27)15-25-13-5-2-6-14-25)19-7-3-4-8-20(19)26(16)18-11-9-17(10-12-18)23(24)28/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,24,28)
InChIKeyIGDNPXXKYGGIHV-UHFFFAOYSA-N
XLogP3.71
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone
CID 118086016
1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone
CID 118085947
3-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]propanamide
CID 118078533
1-[1-(6-chloro-3-pyridinyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone
CID 118085828
1-[1-(4-isocyanophenyl)-2-methyl-6-propylindol-3-yl]-2-piperidin-1-ylethanone
CID 162026605
N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl]acetamide
CID 118086093
4-[6-(2-hydroxyethyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
CID 118078513
4-[4-fluoro-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
CID 118085902
4-[2-methyl-6-(2-methylpropyl)-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
CID 155162027
tert-butyl N-[1-[2-[1-(4-cyanophenyl)-2-methylindol-3-yl]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166966310
N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
CID 118085834
1-carbazol-9-yl-2-piperidin-1-ylethanone
CID 3510891

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?
The IUPAC name of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide (CID 118085809) is 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide.
What is the SMILES notation for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?
The canonical SMILES for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide is Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?
The InChIKey is IGDNPXXKYGGIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-22(21(27)15-25-13-5-2-6-14-25)19-7-3-4-8-20(19)26(16)18-11-9-17(10-12-18)23(24)28/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,24,28).
What are the key properties of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide?
4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzamide is sourced from PubChem (CID 118085809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).