N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide

C26H35FN4O4 — CID 167327855

About N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide

N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide (PubChem CID 167327855) has the molecular formula C26H35FN4O4 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide
• PubChem CID: 167327855
• Molecular Formula: C26H35FN4O4
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.26
• IUPAC Name: N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide
• SMILES: CC(=O)NC1(C(=O)N2CCC3(CC2)C[C@H](CCN2CCN(c4ccc(F)cc4)CC2)OC3=O)CC1
• InChI: InChI=1S/C26H35FN4O4/c1-19(32)28-26(7-8-26)23(33)31-12-9-25(10-13-31)18-22(35-24(25)34)6-11-29-14-16-30(17-15-29)21-4-2-20(27)3-5-21/h2-5,22H,6-18H2,1H3,(H,28,32)/t22-/m0/s1
• InChIKey: YVPMDBVMLYWDMW-QFIPXVFZSA-N
• XLogP: 1.93
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide?

The IUPAC name of N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide (CID 167327855) is N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide.

What is the SMILES notation for N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide?

The canonical SMILES for N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide is CC(=O)NC1(C(=O)N2CCC3(CC2)C[C@H](CCN2CCN(c4ccc(F)cc4)CC2)OC3=O)CC1.

What is the InChIKey of N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide?

The InChIKey is YVPMDBVMLYWDMW-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H35FN4O4/c1-19(32)28-26(7-8-26)23(33)31-12-9-25(10-13-31)18-22(35-24(25)34)6-11-29-14-16-30(17-15-29)21-4-2-20(27)3-5-21/h2-5,22H,6-18H2,1H3,(H,28,32)/t22-/m0/s1.

What are the key properties of N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide?

N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide has a molecular weight of 486.59 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopropyl]acetamide is sourced from PubChem (CID 167327855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).