N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C16H27N3O3 — CID 95270915

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 95270915) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
• PubChem CID: 95270915
• Molecular Formula: C16H27N3O3
• Molecular Weight: 309.41 g/mol
• Exact Mass: 309.21
• IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
• SMILES: CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C2OCCO2)C1
• InChI: InChI=1S/C16H27N3O3/c1-12(2)16(3,11-17)18-14(20)10-19-6-4-5-13(9-19)15-21-7-8-22-15/h12-13,15H,4-10H2,1-3H3,(H,18,20)/t13-,16+/m0/s1
• InChIKey: MHAWLLNZJAKBRG-XJKSGUPXSA-N
• XLogP: 1.13
• TPSA: 74.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.41
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 95270915) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C2OCCO2)C1.

What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?

The InChIKey is MHAWLLNZJAKBRG-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)16(3,11-17)18-14(20)10-19-6-4-5-13(9-19)15-21-7-8-22-15/h12-13,15H,4-10H2,1-3H3,(H,18,20)/t13-,16+/m0/s1.

What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).