N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide

C22H24N4OS — CID 92574131

About N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide

N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 92574131) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
• PubChem CID: 92574131
• Molecular Formula: C22H24N4OS
• Molecular Weight: 392.53 g/mol
• Exact Mass: 392.17
• IUPAC Name: N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
• SMILES: O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1
• InChI: InChI=1S/C22H24N4OS/c27-21(18-7-2-1-3-8-18)25-20(22-24-11-13-28-22)19-9-5-12-26(16-19)15-17-6-4-10-23-14-17/h1-4,6-8,10-11,13-14,19-20H,5,9,12,15-16H2,(H,25,27)/t19-,20+/m1/s1
• InChIKey: OMUYDJZYUGVSLD-UXHICEINSA-N
• XLogP: 3.92
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.53
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?

The IUPAC name of N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide (CID 92574131) is N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide.

What is the SMILES notation for N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?

The canonical SMILES for N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide is O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccnc2)C1)c1ccccc1.

What is the InChIKey of N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?

The InChIKey is OMUYDJZYUGVSLD-UXHICEINSA-N. The full InChI is InChI=1S/C22H24N4OS/c27-21(18-7-2-1-3-8-18)25-20(22-24-11-13-28-22)19-9-5-12-26(16-19)15-17-6-4-10-23-14-17/h1-4,6-8,10-11,13-14,19-20H,5,9,12,15-16H2,(H,25,27)/t19-,20+/m1/s1.

What are the key properties of N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide?

N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 392.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 92574131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).