N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C22H36N4O3 — CID 162796833

About N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 162796833) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• PubChem CID: 162796833
• Molecular Formula: C22H36N4O3
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.28
• IUPAC Name: N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• SMILES: O=C(C[C@@H]1CCNC[C@H]1Cc1cc(CN2CCOCC2)on1)NC1CCCCC1
• InChI: InChI=1S/C22H36N4O3/c27-22(24-19-4-2-1-3-5-19)13-17-6-7-23-15-18(17)12-20-14-21(29-25-20)16-26-8-10-28-11-9-26/h14,17-19,23H,1-13,15-16H2,(H,24,27)/t17-,18+/m0/s1
• InChIKey: LHCRUMPUIDCAOX-ZWKOTPCHSA-N
• XLogP: 2.11
• TPSA: 79.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The IUPAC name of N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 162796833) is N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@H]1Cc1cc(CN2CCOCC2)on1)NC1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The InChIKey is LHCRUMPUIDCAOX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H36N4O3/c27-22(24-19-4-2-1-3-5-19)13-17-6-7-23-15-18(17)12-20-14-21(29-25-20)16-26-8-10-28-11-9-26/h14,17-19,23H,1-13,15-16H2,(H,24,27)/t17-,18+/m0/s1.

What are the key properties of N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 404.56 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[(3S,4S)-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 162796833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).