N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide

C28H32N4O2 — CID 118085834

IUPACN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C28H32N4O2/c1-19-26(25(33)18-31-14-6-5-7-15-31)23-16-21(30-27(34)28(2,3)4)10-13-24(23)32(19)22-11-8-20(17-29)9-12-22/h8-13,16H,5-7,14-15,18H2,1-4H3,(H,30,34)
InChIKeyHVTNACJAGYNWDD-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.46
Rot. Bonds5

About N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide

N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide (PubChem CID 118085834) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
PubChem CID118085834
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C28H32N4O2/c1-19-26(25(33)18-31-14-6-5-7-15-31)23-16-21(30-27(34)28(2,3)4)10-13-24(23)32(19)22-11-8-20(17-29)9-12-22/h8-13,16H,5-7,14-15,18H2,1-4H3,(H,30,34)
InChIKeyHVTNACJAGYNWDD-UHFFFAOYSA-N
XLogP5.46
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide (CID 118085834) is N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide is Cc1c(C(=O)CN2CCCCC2)c2cc(NC(=O)C(C)(C)C)ccc2n1-c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is HVTNACJAGYNWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-26(25(33)18-31-14-6-5-7-15-31)23-16-21(30-27(34)28(2,3)4)10-13-24(23)32(19)22-11-8-20(17-29)9-12-22/h8-13,16H,5-7,14-15,18H2,1-4H3,(H,30,34).
What are the key properties of N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide?
N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 456.59 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118085834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).