4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one

C20H29N3O5 — CID 119651522

IUPAC4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
SMILESCNCC1CCCN1C(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C20H29N3O5/c1-21-11-14-6-5-7-22(14)20(25)13-8-18(24)23(12-13)15-9-16(26-2)19(28-4)17(10-15)27-3/h9-10,13-14,21H,5-8,11-12H2,1-4H3
InChIKeyIYQHXCIMLZJDQC-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.28
Rot. Bonds7

About 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one

4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one (PubChem CID 119651522) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
PubChem CID119651522
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
SMILESCNCC1CCCN1C(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C20H29N3O5/c1-21-11-14-6-5-7-22(14)20(25)13-8-18(24)23(12-13)15-9-16(26-2)19(28-4)17(10-15)27-3/h9-10,13-14,21H,5-8,11-12H2,1-4H3
InChIKeyIYQHXCIMLZJDQC-UHFFFAOYSA-N
XLogP1.28
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650166
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
4-(4-aminopiperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119376203
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-pentan-3-ylpyrrolidin-2-one
CID 119649660
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
4-[2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 60604921
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
methyl 2-[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidin-2-yl]acetate
CID 47074517

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one (CID 119651522) is 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one is CNCC1CCCN1C(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is IYQHXCIMLZJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-21-11-14-6-5-7-22(14)20(25)13-8-18(24)23(12-13)15-9-16(26-2)19(28-4)17(10-15)27-3/h9-10,13-14,21H,5-8,11-12H2,1-4H3.
What are the key properties of 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one?
4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119651522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).