[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium

C₁₈H₂₆N₃O₂+ — CID 6941213

About [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium

[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium (PubChem CID 6941213) has the molecular formula C₁₈H₂₆N₃O₂+ and a molecular weight of 316.42 g/mol. Its IUPAC name is [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium.

Molecular Properties

• Compound Name: [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium
• PubChem CID: 6941213
• Molecular Formula: C₁₈H₂₆N₃O₂+
• Molecular Weight: 316.42 g/mol
• Exact Mass: 316.20
• IUPAC Name: [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium
• SMILES: C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(=O)C1CC1
• InChI: InChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16-/m1/s1
• InChIKey: CNQGDLLSWFDWFH-CZUORRHYSA-O
• XLogP: 0.31
• TPSA: 68.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.42
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?

The IUPAC name of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium (CID 6941213) is [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium.

What is the SMILES notation for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?

The canonical SMILES for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium is C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1C(=O)C1CC1.

What is the InChIKey of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?

The InChIKey is CNQGDLLSWFDWFH-CZUORRHYSA-O. The full InChI is InChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16-/m1/s1.

What are the key properties of [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium?

[(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium has a molecular weight of 316.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium is sourced from PubChem (CID 6941213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6941213 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.