3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C18H24N4O4 — CID 122009703

IUPAC3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H24N4O4/c1-18(16(24)25)7-10-22(12-18)17(26)20-14-6-4-9-21(15(14)23)11-13-5-2-3-8-19-13/h2-3,5,8,14H,4,6-7,9-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyNIDBIIAXNQDEDM-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.08
Rot. Bonds4

About 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122009703) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122009703
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NC2CCCN(Cc3ccccn3)C2=O)C1
InChIInChI=1S/C18H24N4O4/c1-18(16(24)25)7-10-22(12-18)17(26)20-14-6-4-9-21(15(14)23)11-13-5-2-3-8-19-13/h2-3,5,8,14H,4,6-7,9-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyNIDBIIAXNQDEDM-UHFFFAOYSA-N
XLogP1.08
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122050955
1-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005444
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122003795
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]piperazine-1-carboxamide
CID 10391531
1-[(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122009406
3-methyl-1-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122017176
1-[(4-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000501
3-methyl-1-[[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122014504
3-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122007005
3-methyl-1-[[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015160

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122009703) is 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NC2CCCN(Cc3ccccn3)C2=O)C1.
What is the InChIKey of 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NIDBIIAXNQDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(16(24)25)7-10-22(12-18)17(26)20-14-6-4-9-21(15(14)23)11-13-5-2-3-8-19-13/h2-3,5,8,14H,4,6-7,9-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122009703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).