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

C24H37N3O — CID 59036107

IUPACN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C24H37N3O/c28-24(9-3-6-18-26-16-4-1-5-17-26)25-21-12-10-20(11-13-21)23-15-14-22-8-2-7-19-27(22)23/h10-13,22-23H,1-9,14-19H2,(H,25,28)/t22-,23-/m1/s1
InChIKeyDSQAJPDGIOIAPI-DHIUTWEWSA-N
MW383.58 g/mol
LogP4.97
Rot. Bonds7

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

N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 59036107) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide
PubChem CID59036107
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc([C@H]2CC[C@H]3CCCCN32)cc1
InChIInChI=1S/C24H37N3O/c28-24(9-3-6-18-26-16-4-1-5-17-26)25-21-12-10-20(11-13-21)23-15-14-22-8-2-7-19-27(22)23/h10-13,22-23H,1-9,14-19H2,(H,25,28)/t22-,23-/m1/s1
InChIKeyDSQAJPDGIOIAPI-DHIUTWEWSA-N
XLogP4.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-N-methyl-3-piperidin-1-ylpropanamide
CID 59036105
N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 163813685
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
N-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl)phenyl]-N-methyl-3-piperidin-1-ylpropane-1-sulfonamide
CID 10273596
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
CID 119871121
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(4-fluorophenyl)butanamide;dihydrochloride
CID 139945202
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086

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]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide (CID 59036107) is N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide is O=C(CCCCN1CCCCC1)Nc1ccc([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]-5-piperidin-1-ylpentanamide?
The InChIKey is DSQAJPDGIOIAPI-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H37N3O/c28-24(9-3-6-18-26-16-4-1-5-17-26)25-21-12-10-20(11-13-21)23-15-14-22-8-2-7-19-27(22)23/h10-13,22-23H,1-9,14-19H2,(H,25,28)/t22-,23-/m1/s1.
What are the key properties of N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide?
N-[4-[(3R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 383.58 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 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]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 59036107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).