cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

C27H36N4O3 — CID 178144997

IUPACcyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILES[2H]C([2H])([2H])n1c(C2CCNC(C)(C)C2)nc2c1C1(CCN(C(=O)OCC3CC3)CC1)Oc1ccccc1-2
InChIInChI=1S/C27H36N4O3/c1-26(2)16-19(10-13-28-26)24-29-22-20-6-4-5-7-21(20)34-27(23(22)30(24)3)11-14-31(15-12-27)25(32)33-17-18-8-9-18/h4-7,18-19,28H,8-17H2,1-3H3/i3D3
InChIKeyDNZCOUMFLMBRKW-HPRDVNIFSA-N
MW467.63 g/mol
LogP4.56
Rot. Bonds4

About cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178144997) has the molecular formula C27H36N4O3 and a molecular weight of 467.63 g/mol. Its IUPAC name is cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178144997
Molecular FormulaC27H36N4O3
Molecular Weight467.63 g/mol
Exact Mass467.30
IUPAC Namecyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILES[2H]C([2H])([2H])n1c(C2CCNC(C)(C)C2)nc2c1C1(CCN(C(=O)OCC3CC3)CC1)Oc1ccccc1-2
InChIInChI=1S/C27H36N4O3/c1-26(2)16-19(10-13-28-26)24-29-22-20-6-4-5-7-21(20)34-27(23(22)30(24)3)11-14-31(15-12-27)25(32)33-17-18-8-9-18/h4-7,18-19,28H,8-17H2,1-3H3/i3D3
InChIKeyDNZCOUMFLMBRKW-HPRDVNIFSA-N
XLogP4.56
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.63
LogP ≤ 54.56
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-[(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-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145234
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-(2,2-dimethylthiomorpholin-4-yl)-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145064
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
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
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 3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145007
ethyl 2-(2,2-dimethylthian-4-yl)-6-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145087
cyclopropylmethyl 4-[(4R)-2,2-dimethylpiperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
CID 178145261

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (CID 178144997) is cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is [2H]C([2H])([2H])n1c(C2CCNC(C)(C)C2)nc2c1C1(CCN(C(=O)OCC3CC3)CC1)Oc1ccccc1-2.
What is the InChIKey of cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is DNZCOUMFLMBRKW-HPRDVNIFSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-26(2)16-19(10-13-28-26)24-29-22-20-6-4-5-7-21(20)34-27(23(22)30(24)3)11-14-31(15-12-27)25(32)33-17-18-8-9-18/h4-7,18-19,28H,8-17H2,1-3H3/i3D3.
What are the key properties of cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 467.63 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178144997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).