2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride

C20H31Cl2N3O2 — CID 155940011

About 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride

2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride (PubChem CID 155940011) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
• PubChem CID: 155940011
• Molecular Formula: C20H31Cl2N3O2
• Molecular Weight: 416.39 g/mol
• Exact Mass: 415.18
• IUPAC Name: 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
• SMILES: Cl.Cl.O=C(CNC1CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C20H29N3O2.2ClH/c24-19(14-21-17-8-9-17)23-12-13-25-18(15-22-10-4-5-11-22)20(23)16-6-2-1-3-7-16;;/h1-3,6-7,17-18,20-21H,4-5,8-15H2;2*1H/t18-,20-;;/m0../s1
• InChIKey: JYCOLYVLKNCNCM-OINVMNEBSA-N
• XLogP: 2.65
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.39
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride?

The IUPAC name of 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride (CID 155940011) is 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride.

What is the SMILES notation for 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride?

The canonical SMILES for 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CNC1CC1)N1CCO[C@@H](CN2CCCC2)[C@@H]1c1ccccc1.

What is the InChIKey of 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride?

The InChIKey is JYCOLYVLKNCNCM-OINVMNEBSA-N. The full InChI is InChI=1S/C20H29N3O2.2ClH/c24-19(14-21-17-8-9-17)23-12-13-25-18(15-22-10-4-5-11-22)20(23)16-6-2-1-3-7-16;;/h1-3,6-7,17-18,20-21H,4-5,8-15H2;2*1H/t18-,20-;;/m0../s1.

What are the key properties of 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride?

2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride has a molecular weight of 416.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride is sourced from PubChem (CID 155940011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).