N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide

C32H41N3O2 — CID 69212298

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21
InChIInChI=1S/C32H41N3O2/c1-25(36)34-23-17-28-13-14-30(24-31(28)34)35(32(37)15-12-26-8-4-2-5-9-26)29-18-21-33(22-19-29)20-16-27-10-6-3-7-11-27/h2,4-5,8-9,12-15,24,27,29H,3,6-7,10-11,16-23H2,1H3
InChIKeyBVZOBOJXGYYFOT-UHFFFAOYSA-N
MW499.70 g/mol
LogP6.08
Rot. Bonds7

About N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 69212298) has the molecular formula C32H41N3O2 and a molecular weight of 499.70 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID69212298
Molecular FormulaC32H41N3O2
Molecular Weight499.70 g/mol
Exact Mass499.32
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21
InChIInChI=1S/C32H41N3O2/c1-25(36)34-23-17-28-13-14-30(24-31(28)34)35(32(37)15-12-26-8-4-2-5-9-26)29-18-21-33(22-19-29)20-16-27-10-6-3-7-11-27/h2,4-5,8-9,12-15,24,27,29H,3,6-7,10-11,16-23H2,1H3
InChIKeyBVZOBOJXGYYFOT-UHFFFAOYSA-N
XLogP6.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.70
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide (CID 69212298) is N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide is CC(=O)N1CCc2ccc(N(C(=O)C=Cc3ccccc3)C3CCN(CCC4CCCCC4)CC3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is BVZOBOJXGYYFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O2/c1-25(36)34-23-17-28-13-14-30(24-31(28)34)35(32(37)15-12-26-8-4-2-5-9-26)29-18-21-33(22-19-29)20-16-27-10-6-3-7-11-27/h2,4-5,8-9,12-15,24,27,29H,3,6-7,10-11,16-23H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide has a molecular weight of 499.70 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 69212298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).