1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

C20H26N2O5 — CID 122114295

IUPAC1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CC(C(=O)O)CCC2C)CC1=O
InChIInChI=1S/C20H26N2O5/c1-12-4-7-17(27-3)16(8-12)22-11-15(9-18(22)23)19(24)21-10-14(20(25)26)6-5-13(21)2/h4,7-8,13-15H,5-6,9-11H2,1-3H3,(H,25,26)
InChIKeyZMHFNVIYFNGUSE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114295) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122114295
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)N2CC(C(=O)O)CCC2C)CC1=O
InChIInChI=1S/C20H26N2O5/c1-12-4-7-17(27-3)16(8-12)22-11-15(9-18(22)23)19(24)21-10-14(20(25)26)6-5-13(21)2/h4,7-8,13-15H,5-6,9-11H2,1-3H3,(H,25,26)
InChIKeyZMHFNVIYFNGUSE-UHFFFAOYSA-N
XLogP2.07
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952420
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
1-(2-methoxy-5-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119401734
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691372
1-(2-methoxy-5-methylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650166
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119636918
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(4-methoxyphenyl) 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42999797
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 120816065
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122114295) is 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is COc1ccc(C)cc1N1CC(C(=O)N2CC(C(=O)O)CCC2C)CC1=O.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is ZMHFNVIYFNGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12-4-7-17(27-3)16(8-12)22-11-15(9-18(22)23)19(24)21-10-14(20(25)26)6-5-13(21)2/h4,7-8,13-15H,5-6,9-11H2,1-3H3,(H,25,26).
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).