(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

C23H41N5O4S — CID 95088619

About (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide

(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide (PubChem CID 95088619) has the molecular formula C23H41N5O4S and a molecular weight of 483.68 g/mol. Its IUPAC name is (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
• PubChem CID: 95088619
• Molecular Formula: C23H41N5O4S
• Molecular Weight: 483.68 g/mol
• Exact Mass: 483.29
• IUPAC Name: (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
• SMILES: CCCN1CCN(CCCNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
• InChI: InChI=1S/C23H41N5O4S/c1-5-10-26-14-16-27(17-15-26)11-6-9-24-23(29)18(2)21-7-12-28(13-8-21)33(30,31)22-19(3)25-32-20(22)4/h18,21H,5-17H2,1-4H3,(H,24,29)/t18-/m1/s1
• InChIKey: WKHYCGQXVGPEIF-GOSISDBHSA-N
• XLogP: 1.86
• TPSA: 98.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.68
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?

The IUPAC name of (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide (CID 95088619) is (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide.

What is the SMILES notation for (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?

The canonical SMILES for (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide is CCCN1CCN(CCCNC(=O)[C@H](C)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1.

What is the InChIKey of (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?

The InChIKey is WKHYCGQXVGPEIF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H41N5O4S/c1-5-10-26-14-16-27(17-15-26)11-6-9-24-23(29)18(2)21-7-12-28(13-8-21)33(30,31)22-19(3)25-32-20(22)4/h18,21H,5-17H2,1-4H3,(H,24,29)/t18-/m1/s1.

What are the key properties of (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide?

(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide has a molecular weight of 483.68 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 95088619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).