N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide

C23H35N3O — CID 59036105

IUPACN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
SMILESCN(C(=O)CCN1CCCCC1)c1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C23H35N3O/c1-24(23(27)14-18-25-15-4-2-5-16-25)20-10-8-19(9-11-20)22-13-12-21-7-3-6-17-26(21)22/h8-11,21-22H,2-7,12-18H2,1H3/t21-,22-/m1/s1
InChIKeyRWNAWGRAKJEKAV-FGZHOGPDSA-N
MW369.55 g/mol
LogP4.21
Rot. Bonds5

About N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide

N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide (PubChem CID 59036105) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
PubChem CID59036105
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
SMILESCN(C(=O)CCN1CCCCC1)c1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C23H35N3O/c1-24(23(27)14-18-25-15-4-2-5-16-25)20-10-8-19(9-11-20)22-13-12-21-7-3-6-17-26(21)22/h8-11,21-22H,2-7,12-18H2,1H3/t21-,22-/m1/s1
InChIKeyRWNAWGRAKJEKAV-FGZHOGPDSA-N
XLogP4.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide (CID 59036105) is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide is CN(C(=O)CCN1CCCCC1)c1ccc([C@H]2CC[C@H]3CCCCN32)cc1.
What is the InChIKey of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide?
The InChIKey is RWNAWGRAKJEKAV-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H35N3O/c1-24(23(27)14-18-25-15-4-2-5-16-25)20-10-8-19(9-11-20)22-13-12-21-7-3-6-17-26(21)22/h8-11,21-22H,2-7,12-18H2,1H3/t21-,22-/m1/s1.
What are the key properties of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide?
N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide has a molecular weight of 369.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 59036105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).