cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate

C19H21NO5 — CID 178145287

IUPACcyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)C(=O)C2=O
InChIInChI=1S/C19H21NO5/c1-12-2-5-14-15(10-12)25-19(17(22)16(14)21)6-8-20(9-7-19)18(23)24-11-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3
InChIKeyYOKCOBDGUONEIW-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.52
Rot. Bonds2

About cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 178145287) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID178145287
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namecyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)C(=O)C2=O
InChIInChI=1S/C19H21NO5/c1-12-2-5-14-15(10-12)25-19(17(22)16(14)21)6-8-20(9-7-19)18(23)24-11-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3
InChIKeyYOKCOBDGUONEIW-UHFFFAOYSA-N
XLogP2.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145012
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
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 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 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
cyclopropylmethyl spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145386
cyclopropylmethyl 7-chloro-2-piperidin-4-ylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate
CID 178145324
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
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-[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 2-(2,2-dimethylthiomorpholin-4-yl)-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145064
butyl 6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108734524

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate (CID 178145287) is cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate is Cc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)C(=O)C2=O.
What is the InChIKey of cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is YOKCOBDGUONEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12-2-5-14-15(10-12)25-19(17(22)16(14)21)6-8-20(9-7-19)18(23)24-11-13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3.
What are the key properties of cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate?
cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).