1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid

C14H23N3O4 — CID 56702528

IUPAC1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)CCCN2CCCC2=O)CC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-15-8-9-17(10-11(15)14(20)21)13(19)5-3-7-16-6-2-4-12(16)18/h11H,2-10H2,1H3,(H,20,21)
InChIKeyOZUQTYSLRXZDNV-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.38
Rot. Bonds5

About 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid

1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid (PubChem CID 56702528) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
PubChem CID56702528
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
SMILESCN1CCN(C(=O)CCCN2CCCC2=O)CC1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-15-8-9-17(10-11(15)14(20)21)13(19)5-3-7-16-6-2-4-12(16)18/h11H,2-10H2,1H3,(H,20,21)
InChIKeyOZUQTYSLRXZDNV-UHFFFAOYSA-N
XLogP-0.38
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
CID 156603888
1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 131949700
1-[4-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutyl]pyrrolidin-2-one
CID 124756894
1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
CID 70758198
1-[4-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]pyrrolidin-2-one
CID 91838729
1-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 91841866
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-[4-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 45241851
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-[4-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-4-oxobutyl]pyrrolidin-2-one
CID 72867451
1-[4-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one
CID 72940031

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid (CID 56702528) is 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid is CN1CCN(C(=O)CCCN2CCCC2=O)CC1C(=O)O.
What is the InChIKey of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid?
The InChIKey is OZUQTYSLRXZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-15-8-9-17(10-11(15)14(20)21)13(19)5-3-7-16-6-2-4-12(16)18/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid?
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56702528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).