N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide

C19H30N4O2 — CID 95343954

About N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide

N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide (PubChem CID 95343954) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide
• PubChem CID: 95343954
• Molecular Formula: C19H30N4O2
• Molecular Weight: 346.48 g/mol
• Exact Mass: 346.24
• IUPAC Name: N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide
• SMILES: CC(=O)N[C@](C)(C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1)C1CC1
• InChI: InChI=1S/C19H30N4O2/c1-13(2)17-20-9-11-23(17)16-6-5-10-22(12-16)18(25)19(4,15-7-8-15)21-14(3)24/h9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,21,24)/t16-,19-/m0/s1
• InChIKey: LASUTTOHUVENHC-LPHOPBHVSA-N
• XLogP: 2.47
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.48
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide?

The IUPAC name of N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide (CID 95343954) is N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide is CC(=O)N[C@](C)(C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1)C1CC1.

What is the InChIKey of N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide?

The InChIKey is LASUTTOHUVENHC-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)17-20-9-11-23(17)16-6-5-10-22(12-16)18(25)19(4,15-7-8-15)21-14(3)24/h9,11,13,15-16H,5-8,10,12H2,1-4H3,(H,21,24)/t16-,19-/m0/s1.

What are the key properties of N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide?

N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 346.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-cyclopropyl-1-oxo-1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 95343954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).