4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide

C18H31N5O2 — CID 94099552

About 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide (PubChem CID 94099552) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
• PubChem CID: 94099552
• Molecular Formula: C18H31N5O2
• Molecular Weight: 349.48 g/mol
• Exact Mass: 349.25
• IUPAC Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide
• SMILES: Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@H](C)C3)CC2)on1
• InChI: InChI=1S/C18H31N5O2/c1-15-4-3-6-21(13-15)7-5-19-18(24)23-10-8-22(9-11-23)14-17-12-16(2)20-25-17/h12,15H,3-11,13-14H2,1-2H3,(H,19,24)/t15-/m0/s1
• InChIKey: WVZLZPAOTARTJF-HNNXBMFYSA-N
• XLogP: 1.54
• TPSA: 64.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.48
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?

The IUPAC name of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide (CID 94099552) is 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NCCN3CCC[C@H](C)C3)CC2)on1.

What is the InChIKey of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?

The InChIKey is WVZLZPAOTARTJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15-4-3-6-21(13-15)7-5-19-18(24)23-10-8-22(9-11-23)14-17-12-16(2)20-25-17/h12,15H,3-11,13-14H2,1-2H3,(H,19,24)/t15-/m0/s1.

What are the key properties of 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide?

4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 94099552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).