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

C18H27N5O4 — CID 122123740

IUPAC5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCCN(c3nccn(C)c3=O)C2)C1
InChIInChI=1S/C18H27N5O4/c1-12-8-13(17(25)26)10-23(9-12)18(27)20-14-4-3-6-22(11-14)15-16(24)21(2)7-5-19-15/h5,7,12-14H,3-4,6,8-11H2,1-2H3,(H,20,27)(H,25,26)
InChIKeyIYFDIZZHGHXRLL-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.50
Rot. Bonds3

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

5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123740) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122123740
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NC2CCCN(c3nccn(C)c3=O)C2)C1
InChIInChI=1S/C18H27N5O4/c1-12-8-13(17(25)26)10-23(9-12)18(27)20-14-4-3-6-22(11-14)15-16(24)21(2)7-5-19-15/h5,7,12-14H,3-4,6,8-11H2,1-2H3,(H,20,27)(H,25,26)
InChIKeyIYFDIZZHGHXRLL-UHFFFAOYSA-N
XLogP0.50
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
CID 128965407
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
5-methyl-1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122461
(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
CID 129476122
4-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
CID 128990786
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 163357777
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154737044
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122123740) is 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NC2CCCN(c3nccn(C)c3=O)C2)C1.
What is the InChIKey of 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IYFDIZZHGHXRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-12-8-13(17(25)26)10-23(9-12)18(27)20-14-4-3-6-22(11-14)15-16(24)21(2)7-5-19-15/h5,7,12-14H,3-4,6,8-11H2,1-2H3,(H,20,27)(H,25,26).
What are the key properties of 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 377.45 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).