N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C20H28ClN3O4 — CID 119459681

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC3CC4CCC(C3)N4)CC2=O)c1.Cl
InChIInChI=1S/C20H27N3O4.ClH/c1-26-17-8-16(9-18(10-17)27-2)23-11-12(5-19(23)24)20(25)22-15-6-13-3-4-14(7-15)21-13;/h8-10,12-15,21H,3-7,11H2,1-2H3,(H,22,25);1H
InChIKeyMHSOVIUGEHYWNR-UHFFFAOYSA-N
MW409.91 g/mol
LogP1.88
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119459681) has the molecular formula C20H28ClN3O4 and a molecular weight of 409.91 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119459681
Molecular FormulaC20H28ClN3O4
Molecular Weight409.91 g/mol
Exact Mass409.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(N2CC(C(=O)NC3CC4CCC(C3)N4)CC2=O)c1.Cl
InChIInChI=1S/C20H27N3O4.ClH/c1-26-17-8-16(9-18(10-17)27-2)23-11-12(5-19(23)24)20(25)22-15-6-13-3-4-14(7-15)21-13;/h8-10,12-15,21H,3-7,11H2,1-2H3,(H,22,25);1H
InChIKeyMHSOVIUGEHYWNR-UHFFFAOYSA-N
XLogP1.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119459613
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119457640
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
N-(1-cyclopropylpiperidin-4-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46557750
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
N-(2,5-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160116
1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 49059492
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119459681) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is COc1cc(OC)cc(N2CC(C(=O)NC3CC4CCC(C3)N4)CC2=O)c1.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MHSOVIUGEHYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4.ClH/c1-26-17-8-16(9-18(10-17)27-2)23-11-12(5-19(23)24)20(25)22-15-6-13-3-4-14(7-15)21-13;/h8-10,12-15,21H,3-7,11H2,1-2H3,(H,22,25);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 409.91 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).