(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide

C27H35N3O2 — CID 70690760

IUPAC(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C27H35N3O2/c1-19-8-7-9-20(2)26(19)21-12-15-29(16-13-21)17-14-25(31)30-23-11-6-5-10-22(23)18-24(30)27(32)28(3)4/h5-11,21,24H,12-18H2,1-4H3/t24-/m0/s1
InChIKeyWNGSOOVIBSTHHG-DEOSSOPVSA-N
MW433.60 g/mol
LogP3.92
Rot. Bonds5

About (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 70690760) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
PubChem CID70690760
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C27H35N3O2/c1-19-8-7-9-20(2)26(19)21-12-15-29(16-13-21)17-14-25(31)30-23-11-6-5-10-22(23)18-24(30)27(32)28(3)4/h5-11,21,24H,12-18H2,1-4H3/t24-/m0/s1
InChIKeyWNGSOOVIBSTHHG-DEOSSOPVSA-N
XLogP3.92
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (CID 70690760) is (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is Cc1cccc(C)c1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1.
What is the InChIKey of (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WNGSOOVIBSTHHG-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-19-8-7-9-20(2)26(19)21-12-15-29(16-13-21)17-14-25(31)30-23-11-6-5-10-22(23)18-24(30)27(32)28(3)4/h5-11,21,24H,12-18H2,1-4H3/t24-/m0/s1.
What are the key properties of (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-[4-(2,6-dimethylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70690760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).