N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

C23H32N4O4S — CID 127047588

IUPACN-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN1CCC(CS(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1
InChIInChI=1S/C23H32N4O4S/c1-26-8-6-15(7-9-26)14-32(30,31)27-19-3-4-20(27)13-18(12-19)24-23(29)16-2-5-21-17(10-16)11-22(28)25-21/h2,5,10,15,18-20H,3-4,6-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18?,19-,20+
InChIKeyPFKDWTURPMBPSO-IHWFROFDSA-N
MW460.60 g/mol
LogP1.58
Rot. Bonds5

About N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 127047588) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID127047588
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCN1CCC(CS(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1
InChIInChI=1S/C23H32N4O4S/c1-26-8-6-15(7-9-26)14-32(30,31)27-19-3-4-20(27)13-18(12-19)24-23(29)16-2-5-21-17(10-16)11-22(28)25-21/h2,5,10,15,18-20H,3-4,6-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18?,19-,20+
InChIKeyPFKDWTURPMBPSO-IHWFROFDSA-N
XLogP1.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 127047588) is N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is CN1CCC(CS(=O)(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccc4c(c2)CC(=O)N4)C3)CC1.
What is the InChIKey of N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is PFKDWTURPMBPSO-IHWFROFDSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-26-8-6-15(7-9-26)14-32(30,31)27-19-3-4-20(27)13-18(12-19)24-23(29)16-2-5-21-17(10-16)11-22(28)25-21/h2,5,10,15,18-20H,3-4,6-9,11-14H2,1H3,(H,24,29)(H,25,28)/t18?,19-,20+.
What are the key properties of N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-[(1-methylpiperidin-4-yl)methylsulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 127047588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).