N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H31N3O3 — CID 132936386

IUPACN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NC[C@@H]3CCCN4CCCCC34)CC2=O)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-8-4-7-18(13-19)25-15-17(12-21(25)26)22(27)23-14-16-6-5-11-24-10-3-2-9-20(16)24/h4,7-8,13,16-17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,23,27)/t16-,17?,20?/m0/s1
InChIKeyVCJAEHZANBYVDX-VXESANQCSA-N
MW385.51 g/mol
LogP2.43
Rot. Bonds5

About N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 132936386) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID132936386
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NC[C@@H]3CCCN4CCCCC34)CC2=O)c1
InChIInChI=1S/C22H31N3O3/c1-28-19-8-4-7-18(13-19)25-15-17(12-21(25)26)22(27)23-14-16-6-5-11-24-10-3-2-9-20(16)24/h4,7-8,13,16-17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,23,27)/t16-,17?,20?/m0/s1
InChIKeyVCJAEHZANBYVDX-VXESANQCSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100906200
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110876784
(3R)-N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100905805
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 99995046
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
N-(2-cyclohexylethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46548075
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 132936386) is N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NC[C@@H]3CCCN4CCCCC34)CC2=O)c1.
What is the InChIKey of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VCJAEHZANBYVDX-VXESANQCSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-28-19-8-4-7-18(13-19)25-15-17(12-21(25)26)22(27)23-14-16-6-5-11-24-10-3-2-9-20(16)24/h4,7-8,13,16-17,20H,2-3,5-6,9-12,14-15H2,1H3,(H,23,27)/t16-,17?,20?/m0/s1.
What are the key properties of N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 132936386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).