ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

C26H34N4O3 — CID 178145234

IUPACethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC4(CCC4)C3)n(C)c12
InChIInChI=1S/C26H34N4O3/c1-3-32-24(31)30-15-12-26(13-16-30)22-21(19-7-4-5-8-20(19)33-26)28-23(29(22)2)18-9-14-27-25(17-18)10-6-11-25/h4-5,7-8,18,27H,3,6,9-17H2,1-2H3/t18-/m1/s1
InChIKeyZXMPNZSBNMFROL-GOSISDBHSA-N
MW450.58 g/mol
LogP4.32
Rot. Bonds2

About ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178145234) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178145234
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Nameethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC4(CCC4)C3)n(C)c12
InChIInChI=1S/C26H34N4O3/c1-3-32-24(31)30-15-12-26(13-16-30)22-21(19-7-4-5-8-20(19)33-26)28-23(29(22)2)18-9-14-27-25(17-18)10-6-11-25/h4-5,7-8,18,27H,3,6,9-17H2,1-2H3/t18-/m1/s1
InChIKeyZXMPNZSBNMFROL-GOSISDBHSA-N
XLogP4.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145316
cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178144997
ethyl 2-(2,2-dimethylpiperidin-4-yl)-6-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145171
cyclopropylmethyl 2-[(4R)-2,2-dimethyl-1,1-dioxothian-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145422
ethyl 2-(2,2-dimethylthian-4-yl)-6-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145087
cyclopropylmethyl 3,7-dimethyl-2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145328
cyclopropylmethyl 2-(2,2-dimethylthiomorpholin-4-yl)-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145064
cyclopropylmethyl 4-[(4R)-1-acetyl-2,2-dimethylpiperidin-4-yl]-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145463
cyclopropylmethyl 4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-methylspiro[8-oxa-3,5,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145018
tert-butyl (4R)-4-(1'-butanoyl-3,7-dimethylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate
CID 178145430
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
tert-butyl 2-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (CID 178145234) is ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC4(CCC4)C3)n(C)c12.
What is the InChIKey of ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is ZXMPNZSBNMFROL-GOSISDBHSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-32-24(31)30-15-12-26(13-16-30)22-21(19-7-4-5-8-20(19)33-26)28-23(29(22)2)18-9-14-27-25(17-18)10-6-11-25/h4-5,7-8,18,27H,3,6,9-17H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 450.58 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).