4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide

C19H31N5O5S — CID 53118821

About 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide

4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 53118821) has the molecular formula C19H31N5O5S and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
• PubChem CID: 53118821
• Molecular Formula: C19H31N5O5S
• Molecular Weight: 441.55 g/mol
• Exact Mass: 441.20
• IUPAC Name: 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
• SMILES: CCNC(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
• InChI: InChI=1S/C19H31N5O5S/c1-4-20-19(26)23-11-9-22(10-12-23)17(25)13-16-5-7-24(8-6-16)30(27,28)18-14(2)21-29-15(18)3/h16H,4-13H2,1-3H3,(H,20,26)
• InChIKey: QNCTWZLSJAEWCT-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 116.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.55
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide?

The IUPAC name of 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide (CID 53118821) is 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide.

What is the SMILES notation for 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide?

The canonical SMILES for 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1.

What is the InChIKey of 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide?

The InChIKey is QNCTWZLSJAEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O5S/c1-4-20-19(26)23-11-9-22(10-12-23)17(25)13-16-5-7-24(8-6-16)30(27,28)18-14(2)21-29-15(18)3/h16H,4-13H2,1-3H3,(H,20,26).

What are the key properties of 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide?

4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 53118821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).