N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide

C24H32N4O3 — CID 25276282

About N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide

N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 25276282) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 25276282
• Molecular Formula: C24H32N4O3
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.25
• IUPAC Name: N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide
• SMILES: CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1
• InChI: InChI=1S/C24H32N4O3/c1-27(16-13-19-8-4-5-14-25-19)22(29)12-11-18-7-6-15-28(17-18)24(30)23-20-9-2-3-10-21(20)31-26-23/h4-5,8,14,18H,2-3,6-7,9-13,15-17H2,1H3/t18-/m1/s1
• InChIKey: PDIHXRQDHWTHJT-GOSISDBHSA-N
• XLogP: 3.28
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide (CID 25276282) is N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide is CN(CCc1ccccn1)C(=O)CC[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1.

What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is PDIHXRQDHWTHJT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(16-13-19-8-4-5-14-25-19)22(29)12-11-18-7-6-15-28(17-18)24(30)23-20-9-2-3-10-21(20)31-26-23/h4-5,8,14,18H,2-3,6-7,9-13,15-17H2,1H3/t18-/m1/s1.

What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide?

N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 424.55 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 25276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).