N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H27N3O2 — CID 56809033

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCN4CCCCC34)CC2=O)cc1
InChIInChI=1S/C20H27N3O2/c1-14-5-7-16(8-6-14)23-13-15(12-19(23)24)20(25)21-17-9-11-22-10-3-2-4-18(17)22/h5-8,15,17-18H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyNXWBOUGEGDHDIY-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.09
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 56809033) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID56809033
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCN4CCCCC34)CC2=O)cc1
InChIInChI=1S/C20H27N3O2/c1-14-5-7-16(8-6-14)23-13-15(12-19(23)24)20(25)21-17-9-11-22-10-3-2-4-18(17)22/h5-8,15,17-18H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyNXWBOUGEGDHDIY-UHFFFAOYSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
(3S)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52785744
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
1-(4-methylphenyl)-5-oxo-N-spiro[3.4]octan-8-ylpyrrolidine-3-carboxamide
CID 166342502
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3S)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811620
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811618
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55534644
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791094
N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 56809033) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CCN4CCCCC34)CC2=O)cc1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NXWBOUGEGDHDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-5-7-16(8-6-14)23-13-15(12-19(23)24)20(25)21-17-9-11-22-10-3-2-4-18(17)22/h5-8,15,17-18H,2-4,9-13H2,1H3,(H,21,25).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56809033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).