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

C26H32FN3O2 — CID 70688697

IUPAC(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C26H32FN3O2/c1-18-16-21(27)8-9-22(18)19-10-13-29(14-11-19)15-12-25(31)30-23-7-5-4-6-20(23)17-24(30)26(32)28(2)3/h4-9,16,19,24H,10-15,17H2,1-3H3/t24-/m0/s1
InChIKeyYIGZXFZQVJODJZ-DEOSSOPVSA-N
MW437.56 g/mol
LogP3.75
Rot. Bonds5

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

(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 70688697) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
PubChem CID70688697
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
SMILESCc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C26H32FN3O2/c1-18-16-21(27)8-9-22(18)19-10-13-29(14-11-19)15-12-25(31)30-23-7-5-4-6-20(23)17-24(30)26(32)28(2)3/h4-9,16,19,24H,10-15,17H2,1-3H3/t24-/m0/s1
InChIKeyYIGZXFZQVJODJZ-DEOSSOPVSA-N
XLogP3.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.75
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-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide (CID 70688697) is (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is Cc1cc(F)ccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1.
What is the InChIKey of (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is YIGZXFZQVJODJZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-18-16-21(27)8-9-22(18)19-10-13-29(14-11-19)15-12-25(31)30-23-7-5-4-6-20(23)17-24(30)26(32)28(2)3/h4-9,16,19,24H,10-15,17H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[3-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 3.75, 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-(4-fluoro-2-methylphenyl)piperidin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).