N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

C23H31N3O2S — CID 95208034

About N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 95208034) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
• PubChem CID: 95208034
• Molecular Formula: C23H31N3O2S
• Molecular Weight: 413.59 g/mol
• Exact Mass: 413.21
• IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
• SMILES: O=C(CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1
• InChI: InChI=1S/C23H31N3O2S/c27-22(24-15-20-7-4-14-28-20)9-8-18-10-12-26(13-11-18)17-21-16-25-23(29-21)19-5-2-1-3-6-19/h1-3,5-6,16,18,20H,4,7-15,17H2,(H,24,27)/t20-/m1/s1
• InChIKey: CQBJNKZNHJWMIC-HXUWFJFHSA-N
• XLogP: 4.10
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.59
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?

The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 95208034) is N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.

What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?

The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2cnc(-c3ccccc3)s2)CC1)NC[C@H]1CCCO1.

What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?

The InChIKey is CQBJNKZNHJWMIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N3O2S/c27-22(24-15-20-7-4-14-28-20)9-8-18-10-12-26(13-11-18)17-21-16-25-23(29-21)19-5-2-1-3-6-19/h1-3,5-6,16,18,20H,4,7-15,17H2,(H,24,27)/t20-/m1/s1.

What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?

N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 413.59 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 95208034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).