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

C26H35N5O3 — CID 178145261

IUPACcyclopropylmethyl 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
SMILESCc1cnc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn([C@@H]3CCNC(C)(C)C3)nc1-2
InChIInChI=1S/C26H35N5O3/c1-17-12-21-23(27-14-17)22-20(15-31(29-22)19-6-9-28-25(2,3)13-19)26(34-21)7-10-30(11-8-26)24(32)33-16-18-4-5-18/h12,14-15,18-19,28H,4-11,13,16H2,1-3H3/t19-/m1/s1
InChIKeyKGJNZVXPIGITAK-LJQANCHMSA-N
MW465.60 g/mol
LogP4.19
Rot. Bonds3

About 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

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 (PubChem CID 178145261) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclopropylmethyl 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
PubChem CID178145261
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Namecyclopropylmethyl 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
SMILESCc1cnc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn([C@@H]3CCNC(C)(C)C3)nc1-2
InChIInChI=1S/C26H35N5O3/c1-17-12-21-23(27-14-17)22-20(15-31(29-22)19-6-9-28-25(2,3)13-19)26(34-21)7-10-30(11-8-26)24(32)33-16-18-4-5-18/h12,14-15,18-19,28H,4-11,13,16H2,1-3H3/t19-/m1/s1
InChIKeyKGJNZVXPIGITAK-LJQANCHMSA-N
XLogP4.19
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-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 178145063
cyclopropylmethyl 11-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 178145220
cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145324
cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145012
cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 178145287
cyclopropylmethyl 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178144997
N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 178145142
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
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-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145007
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 3,7-dimethyl-2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decan-2-yl]spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145038

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn([C@@H]3CCNC(C)(C)C3)nc1-2.
What is the InChIKey of 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?
The InChIKey is KGJNZVXPIGITAK-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-17-12-21-23(27-14-17)22-20(15-31(29-22)19-6-9-28-25(2,3)13-19)26(34-21)7-10-30(11-8-26)24(32)33-16-18-4-5-18/h12,14-15,18-19,28H,4-11,13,16H2,1-3H3/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 465.60 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178145261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).