N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C22H23N5O5 — CID 55790883

About N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55790883) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
• PubChem CID: 55790883
• Molecular Formula: C22H23N5O5
• Molecular Weight: 437.46 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)no1
• InChI: InChI=1S/C22H23N5O5/c1-13-10-18(26-32-13)25-21(30)14-6-8-27(9-7-14)19(28)12-24-22(31)16-11-23-17-5-3-2-4-15(17)20(16)29/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,29)(H,24,31)(H,25,26,30)
• InChIKey: YJVTYXQLADROLC-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 137.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.46
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The IUPAC name of N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55790883) is N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)no1.

What is the InChIKey of N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

The InChIKey is YJVTYXQLADROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-13-10-18(26-32-13)25-21(30)14-6-8-27(9-7-14)19(28)12-24-22(31)16-11-23-17-5-3-2-4-15(17)20(16)29/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,29)(H,24,31)(H,25,26,30).

What are the key properties of N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?

N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55790883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).