methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate

C21H28N2O6 — CID 134478032

IUPACmethyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3OC)C2)CC1
InChIInChI=1S/C21H28N2O6/c1-27-17-5-4-15(18(11-17)28-2)12-23-13-16(10-19(23)24)20(25)22-8-6-14(7-9-22)21(26)29-3/h4-5,11,14,16H,6-10,12-13H2,1-3H3
InChIKeyIEMAIGURDXCVBM-UHFFFAOYSA-N
MW404.46 g/mol
LogP1.46
Rot. Bonds6

About methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate

methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 134478032) has the molecular formula C21H28N2O6 and a molecular weight of 404.46 g/mol. Its IUPAC name is methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID134478032
Molecular FormulaC21H28N2O6
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC Namemethyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3OC)C2)CC1
InChIInChI=1S/C21H28N2O6/c1-27-17-5-4-15(18(11-17)28-2)12-23-13-16(10-19(23)24)20(25)22-8-6-14(7-9-22)21(26)29-3/h4-5,11,14,16H,6-10,12-13H2,1-3H3
InChIKeyIEMAIGURDXCVBM-UHFFFAOYSA-N
XLogP1.46
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
(4R)-4-benzyl-3-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 71287812
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
methyl 1-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 6461917
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119625408
methyl (3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 86680346
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate (CID 134478032) is methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2CC(=O)N(Cc3ccc(OC)cc3OC)C2)CC1.
What is the InChIKey of methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is IEMAIGURDXCVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6/c1-27-17-5-4-15(18(11-17)28-2)12-23-13-16(10-19(23)24)20(25)22-8-6-14(7-9-22)21(26)29-3/h4-5,11,14,16H,6-10,12-13H2,1-3H3.
What are the key properties of methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 404.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 134478032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).