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

C26H33N3O2 — CID 70696991

IUPAC(2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C26H33N3O2/c1-19-8-4-6-10-22(19)20-12-15-28(16-13-20)17-14-25(30)29-23-11-7-5-9-21(23)18-24(29)26(31)27(2)3/h4-11,20,24H,12-18H2,1-3H3/t24-/m0/s1
InChIKeyVQFSMIZJZKBHKC-DEOSSOPVSA-N
MW419.57 g/mol
LogP3.61
Rot. Bonds5

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

(2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70696991) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70696991
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1
InChIInChI=1S/C26H33N3O2/c1-19-8-4-6-10-22(19)20-12-15-28(16-13-20)17-14-25(30)29-23-11-7-5-9-21(23)18-24(29)26(31)27(2)3/h4-11,20,24H,12-18H2,1-3H3/t24-/m0/s1
InChIKeyVQFSMIZJZKBHKC-DEOSSOPVSA-N
XLogP3.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70696991) is (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is Cc1ccccc1C1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1.
What is the InChIKey of (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is VQFSMIZJZKBHKC-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-8-4-6-10-22(19)20-12-15-28(16-13-20)17-14-25(30)29-23-11-7-5-9-21(23)18-24(29)26(31)27(2)3/h4-11,20,24H,12-18H2,1-3H3/t24-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
(2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperidin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70696991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).