5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H23N3O4 — CID 167901294

IUPAC5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C18H23N3O4/c1-12-9-13(17(23)24)11-20(10-12)18(25)19-14-4-6-15(7-5-14)21-8-2-3-16(21)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,19,25)(H,23,24)
InChIKeyYMBYGFTXRDYVDH-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 167901294) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID167901294
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C18H23N3O4/c1-12-9-13(17(23)24)11-20(10-12)18(25)19-14-4-6-15(7-5-14)21-8-2-3-16(21)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,19,25)(H,23,24)
InChIKeyYMBYGFTXRDYVDH-UHFFFAOYSA-N
XLogP2.39
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102019
4-(2-oxo-2-pyrrolidin-1-ylacetyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 55816776
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102780
5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122103192
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 167901294) is 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc(N3CCCC3=O)cc2)C1.
What is the InChIKey of 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YMBYGFTXRDYVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-9-13(17(23)24)11-20(10-12)18(25)19-14-4-6-15(7-5-14)21-8-2-3-16(21)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,19,25)(H,23,24).
What are the key properties of 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167901294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).