1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride

C18H26ClN3O3 — CID 119444324

IUPAC1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CC(C(=O)N(C)C2CCNCC2)CC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-20(14-7-9-19-10-8-14)18(23)13-11-17(22)21(12-13)15-5-3-4-6-16(15)24-2;/h3-6,13-14,19H,7-12H2,1-2H3;1H
InChIKeyVMXMEGWVWZENLA-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride

1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119444324) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119444324
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1N1CC(C(=O)N(C)C2CCNCC2)CC1=O.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-20(14-7-9-19-10-8-14)18(23)13-11-17(22)21(12-13)15-5-3-4-6-16(15)24-2;/h3-6,13-14,19H,7-12H2,1-2H3;1H
InChIKeyVMXMEGWVWZENLA-UHFFFAOYSA-N
XLogP1.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532928
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
(3S)-1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9449928
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 119823179
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
N,N-diethyl-1-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 52796180
N-(3-aminopropyl)-N-benzyl-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120648260

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119444324) is 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride is COc1ccccc1N1CC(C(=O)N(C)C2CCNCC2)CC1=O.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is VMXMEGWVWZENLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-20(14-7-9-19-10-8-14)18(23)13-11-17(22)21(12-13)15-5-3-4-6-16(15)24-2;/h3-6,13-14,19H,7-12H2,1-2H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride?
1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119444324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).