N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide

C33H44N4O5 — CID 133068295

IUPACN-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)c1=O)NC1CCCCC1
InChIInChI=1S/C33H44N4O5/c38-29(35-26-12-4-1-5-13-26)24-37-20-9-14-27(31(37)40)30(39)36-21-17-33(18-22-36)16-8-2-3-10-25-11-6-7-15-28(25)42-23-19-34-32(33)41/h6-7,9,11,14-15,20,26H,1-5,8,10,12-13,16-19,21-24H2,(H,34,41)(H,35,38)
InChIKeyFCWGTSPCTSCBQX-UHFFFAOYSA-N
MW576.74 g/mol
LogP3.83
Rot. Bonds4

About N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide

N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide (PubChem CID 133068295) has the molecular formula C33H44N4O5 and a molecular weight of 576.74 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide
PubChem CID133068295
Molecular FormulaC33H44N4O5
Molecular Weight576.74 g/mol
Exact Mass576.33
IUPAC NameN-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)c1=O)NC1CCCCC1
InChIInChI=1S/C33H44N4O5/c38-29(35-26-12-4-1-5-13-26)24-37-20-9-14-27(31(37)40)30(39)36-21-17-33(18-22-36)16-8-2-3-10-25-11-6-7-15-28(25)42-23-19-34-32(33)41/h6-7,9,11,14-15,20,26H,1-5,8,10,12-13,16-19,21-24H2,(H,34,41)(H,35,38)
InChIKeyFCWGTSPCTSCBQX-UHFFFAOYSA-N
XLogP3.83
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.74
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide with MolForge

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Related Compounds

1'-(1H-indazole-3-carbonyl)spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 110067946
ethyl 2-[[2-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-yl)acetyl]amino]acetate
CID 110074739
1'-(4-methylpyrimidine-5-carbonyl)spiro[2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-8,4'-piperidine]-7-one
CID 110074759
1'-(2-methylbenzoyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 133069247
(7S)-7-methyl-1'-propanoylspiro[2-oxa-5,8-diazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-10,4'-piperidine]-6,9-dione
CID 133067453
1'-[2-[1-(2-phenylethyl)piperidin-4-yl]acetyl]spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 110065503
1'-[3-[2-(4-methylpiperidin-1-yl)ethoxy]benzoyl]spiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-6-one
CID 133070747
1'-(quinoline-6-carbonyl)spiro[2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-8,4'-piperidine]-7-one
CID 110064252
1'-[3-(4-fluorophenyl)-1,2-oxazole-4-carbonyl]spiro[2-oxa-6-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-8,4'-piperidine]-7-one
CID 133072634
1'-[2-(2-ethylimidazol-1-yl)acetyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,3'-piperidine]-6-one
CID 133069361
1'-(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 155990066
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-oxospiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl)acetamide
CID 133068415

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide (CID 133068295) is N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide?
The InChIKey is FCWGTSPCTSCBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O5/c38-29(35-26-12-4-1-5-13-26)24-37-20-9-14-27(31(37)40)30(39)36-21-17-33(18-22-36)16-8-2-3-10-25-11-6-7-15-28(25)42-23-19-34-32(33)41/h6-7,9,11,14-15,20,26H,1-5,8,10,12-13,16-19,21-24H2,(H,34,41)(H,35,38).
What are the key properties of N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide?
N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide has a molecular weight of 576.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-oxo-3-(6-oxospiro[2-oxa-5-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-7,4'-piperidine]-1'-carbonyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 133068295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).