1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one

C22H32N4O3S — CID 86890935

About 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one

1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 86890935) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
• PubChem CID: 86890935
• Molecular Formula: C22H32N4O3S
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.22
• IUPAC Name: 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
• SMILES: CC(C(=O)N1CCCCC1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1
• InChI: InChI=1S/C22H32N4O3S/c1-17(20(27)24-9-3-2-4-10-24)23-12-14-25(15-13-23)21(28)18-7-5-11-26(18)22(29)19-8-6-16-30-19/h6,8,16-18H,2-5,7,9-15H2,1H3/t17?,18-/m0/s1
• InChIKey: FIPXQHYRQVBKFD-ZVAWYAOSSA-N
• XLogP: 1.90
• TPSA: 64.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one (CID 86890935) is 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1.

What is the InChIKey of 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

The InChIKey is FIPXQHYRQVBKFD-ZVAWYAOSSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-17(20(27)24-9-3-2-4-10-24)23-12-14-25(15-13-23)21(28)18-7-5-11-26(18)22(29)19-8-6-16-30-19/h6,8,16-18H,2-5,7,9-15H2,1H3/t17?,18-/m0/s1.

What are the key properties of 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one?

1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 432.59 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86890935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).