cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate

C20H23N3O3 — CID 178145012

IUPACcyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn[nH]c1-2
InChIInChI=1S/C20H23N3O3/c1-13-2-5-15-17(10-13)26-20(16-11-21-22-18(15)16)6-8-23(9-7-20)19(24)25-12-14-3-4-14/h2,5,10-11,14H,3-4,6-9,12H2,1H3,(H,21,22)
InChIKeyQDQPWNFFRFFIQP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.62
Rot. Bonds2

About cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178145012) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178145012
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namecyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate
SMILESCc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn[nH]c1-2
InChIInChI=1S/C20H23N3O3/c1-13-2-5-15-17(10-13)26-20(16-11-21-22-18(15)16)6-8-23(9-7-20)19(24)25-12-14-3-4-14/h2,5,10-11,14H,3-4,6-9,12H2,1H3,(H,21,22)
InChIKeyQDQPWNFFRFFIQP-UHFFFAOYSA-N
XLogP3.62
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl 7-methyl-3,4-dioxospiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 178145287
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 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 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 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
[2-(methoxymethyl)phenyl]-spiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-ylmethanone
CID 58551255
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 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 2-(2,2-dimethylpiperidin-4-yl)-3-(trideuteriomethyl)spiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178144997

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate (CID 178145012) is cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate is Cc1ccc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn[nH]c1-2.
What is the InChIKey of cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is QDQPWNFFRFFIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-2-5-15-17(10-13)26-20(16-11-21-22-18(15)16)6-8-23(9-7-20)19(24)25-12-14-3-4-14/h2,5,10-11,14H,3-4,6-9,12H2,1H3,(H,21,22).
What are the key properties of cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate?
cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 7-methylspiro[1H-chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).