tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate

C27H37FN4O3 — CID 178145325

IUPACtert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCn1c(C2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nc2c1C1(CCNCC1)Oc1ccc(F)cc1-2
InChIInChI=1S/C27H37FN4O3/c1-25(2,3)35-24(33)32-14-9-17(16-26(32,4)5)23-30-21-19-15-18(28)7-8-20(19)34-27(22(21)31(23)6)10-12-29-13-11-27/h7-8,15,17,29H,9-14,16H2,1-6H3
InChIKeyNXFDPRYOLZFODA-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.09
Rot. Bonds1

About tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate

tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate (PubChem CID 178145325) has the molecular formula C27H37FN4O3 and a molecular weight of 484.62 g/mol. Its IUPAC name is tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate
PubChem CID178145325
Molecular FormulaC27H37FN4O3
Molecular Weight484.62 g/mol
Exact Mass484.28
IUPAC Nametert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCn1c(C2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nc2c1C1(CCNCC1)Oc1ccc(F)cc1-2
InChIInChI=1S/C27H37FN4O3/c1-25(2,3)35-24(33)32-14-9-17(16-26(32,4)5)23-30-21-19-15-18(28)7-8-20(19)34-27(22(21)31(23)6)10-12-29-13-11-27/h7-8,15,17,29H,9-14,16H2,1-6H3
InChIKeyNXFDPRYOLZFODA-UHFFFAOYSA-N
XLogP5.09
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
tert-butyl 4-(9-fluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate
CID 178145479
methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145316
tert-butyl 3-(diethoxymethyl)-6-fluoro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]
CID 157356159
ethyl 2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145234
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
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-[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-3,7-dimethylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145458
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate (CID 178145325) is tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate is Cn1c(C2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)nc2c1C1(CCNCC1)Oc1ccc(F)cc1-2.
What is the InChIKey of tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is NXFDPRYOLZFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN4O3/c1-25(2,3)35-24(33)32-14-9-17(16-26(32,4)5)23-30-21-19-15-18(28)7-8-20(19)34-27(22(21)31(23)6)10-12-29-13-11-27/h7-8,15,17,29H,9-14,16H2,1-6H3.
What are the key properties of tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate?
tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 484.62 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(8-fluoro-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-2-yl)-2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 178145325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).