1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione

About 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione

1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione (PubChem CID 55936595) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name	1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
PubChem CID	55936595
Molecular Formula	C20H26N4O5S
Molecular Weight	434.52 g/mol
Exact Mass	434.16
IUPAC Name	1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
SMILES	O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1)N1CCOCC1
InChI	InChI=1S/C20H26N4O5S/c25-17(15-3-1-5-24(15)18(26)16-4-2-14-30-16)21-6-8-22(9-7-21)19(27)20(28)23-10-12-29-13-11-23/h2,4,14-15H,1,3,5-13H2/t15-/m0/s1
InChIKey	RJAXZHNABNXRNC-HNNXBMFYSA-N
XLogP	-0.12
TPSA	90.47 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	2
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	-0.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione?

The IUPAC name of 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione (CID 55936595) is 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione.

What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione?

The canonical SMILES for 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1)N1CCOCC1.

What is the InChIKey of 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione?

The InChIKey is RJAXZHNABNXRNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c25-17(15-3-1-5-24(15)18(26)16-4-2-14-30-16)21-6-8-22(9-7-21)19(27)20(28)23-10-12-29-13-11-23/h2,4,14-15H,1,3,5-13H2/t15-/m0/s1.

What are the key properties of 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione?

1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione has a molecular weight of 434.52 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 55936595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).