3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide

C20H27N5O2S — CID 92612217

About 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide

3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide (PubChem CID 92612217) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide
• PubChem CID: 92612217
• Molecular Formula: C20H27N5O2S
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.19
• IUPAC Name: 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide
• SMILES: NC(=O)CCN1CCC[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1
• InChI: InChI=1S/C20H27N5O2S/c21-18(26)7-9-23-8-3-4-15(14-23)19(27)24-10-12-25(13-11-24)20-22-16-5-1-2-6-17(16)28-20/h1-2,5-6,15H,3-4,7-14H2,(H2,21,26)/t15-/m0/s1
• InChIKey: SLZJTJKPJIZWHT-HNNXBMFYSA-N
• XLogP: 1.53
• TPSA: 82.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide?

The IUPAC name of 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide (CID 92612217) is 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide.

What is the SMILES notation for 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide?

The canonical SMILES for 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide is NC(=O)CCN1CCC[C@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)C1.

What is the InChIKey of 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide?

The InChIKey is SLZJTJKPJIZWHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c21-18(26)7-9-23-8-3-4-15(14-23)19(27)24-10-12-25(13-11-24)20-22-16-5-1-2-6-17(16)28-20/h1-2,5-6,15H,3-4,7-14H2,(H2,21,26)/t15-/m0/s1.

What are the key properties of 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide?

3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide has a molecular weight of 401.54 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 92612217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).