4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

C16H20N4O4 — CID 175009560

IUPAC4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC1(CNC(=O)c2c[nH]c(=O)c3[nH]ccc23)CCN(C(=O)O)CC1
InChIInChI=1S/C16H20N4O4/c1-16(3-6-20(7-4-16)15(23)24)9-19-13(21)11-8-18-14(22)12-10(11)2-5-17-12/h2,5,8,17H,3-4,6-7,9H2,1H3,(H,18,22)(H,19,21)(H,23,24)
InChIKeyICABWJDBWBXNKF-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 175009560) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID175009560
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCC1(CNC(=O)c2c[nH]c(=O)c3[nH]ccc23)CCN(C(=O)O)CC1
InChIInChI=1S/C16H20N4O4/c1-16(3-6-20(7-4-16)15(23)24)9-19-13(21)11-8-18-14(22)12-10(11)2-5-17-12/h2,5,8,17H,3-4,6-7,9H2,1H3,(H,18,22)(H,19,21)(H,23,24)
InChIKeyICABWJDBWBXNKF-UHFFFAOYSA-N
XLogP1.37
TPSA118.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (CID 175009560) is 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is CC1(CNC(=O)c2c[nH]c(=O)c3[nH]ccc23)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is ICABWJDBWBXNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-16(3-6-20(7-4-16)15(23)24)9-19-13(21)11-8-18-14(22)12-10(11)2-5-17-12/h2,5,8,17H,3-4,6-7,9H2,1H3,(H,18,22)(H,19,21)(H,23,24).
What are the key properties of 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).