benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

C34H40N4O5 — CID 178145172

IUPACbenzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3c([nH]2)C2(CCN(C(=O)OCc4ccccc4)CC2)Oc2ccccc2-3)CC12CC2
InChIInChI=1S/C34H40N4O5/c1-32(2,3)43-31(40)38-18-13-24(21-33(38)14-15-33)29-35-27-25-11-7-8-12-26(25)42-34(28(27)36-29)16-19-37(20-17-34)30(39)41-22-23-9-5-4-6-10-23/h4-12,24H,13-22H2,1-3H3,(H,35,36)
InChIKeySKCLMXDYIHTZMZ-UHFFFAOYSA-N
MW584.72 g/mol
LogP6.74
Rot. Bonds3

About benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178145172) has the molecular formula C34H40N4O5 and a molecular weight of 584.72 g/mol. Its IUPAC name is benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178145172
Molecular FormulaC34H40N4O5
Molecular Weight584.72 g/mol
Exact Mass584.30
IUPAC Namebenzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3c([nH]2)C2(CCN(C(=O)OCc4ccccc4)CC2)Oc2ccccc2-3)CC12CC2
InChIInChI=1S/C34H40N4O5/c1-32(2,3)43-31(40)38-18-13-24(21-33(38)14-15-33)29-35-27-25-11-7-8-12-26(25)42-34(28(27)36-29)16-19-37(20-17-34)30(39)41-22-23-9-5-4-6-10-23/h4-12,24H,13-22H2,1-3H3,(H,35,36)
InChIKeySKCLMXDYIHTZMZ-UHFFFAOYSA-N
XLogP6.74
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate with MolForge

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Related Compounds

benzyl 2-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-9-fluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178144882
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 121226000
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557
benzyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidine-1-carboxylate
CID 66620708
benzyl 4-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2H-pyrrol-5-yl]piperidine-1-carboxylate
CID 146862643
(7aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylmethoxycarbonyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-7a-carboxylate
CID 171036470
2-O-benzyl 8-O-tert-butyl (3S)-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 124518922
cyclopropylmethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145007
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (CID 178145172) is benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc3c([nH]2)C2(CCN(C(=O)OCc4ccccc4)CC2)Oc2ccccc2-3)CC12CC2.
What is the InChIKey of benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is SKCLMXDYIHTZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O5/c1-32(2,3)43-31(40)38-18-13-24(21-33(38)14-15-33)29-35-27-25-11-7-8-12-26(25)42-34(28(27)36-29)16-19-37(20-17-34)30(39)41-22-23-9-5-4-6-10-23/h4-12,24H,13-22H2,1-3H3,(H,35,36).
What are the key properties of benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 584.72 g/mol, XLogP of 6.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).