methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate

C21H29NO3 — CID 146224999

IUPACmethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1
InChIInChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyOVPFLFPXCMEWFC-KUHUBIRLSA-N
MW343.47 g/mol
LogP3.44
Rot. Bonds4

About methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate

methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate (PubChem CID 146224999) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
PubChem CID146224999
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Namemethyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1
InChIInChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyOVPFLFPXCMEWFC-KUHUBIRLSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate with MolForge

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Related Compounds

methyl 3-cyclopropyl-3-(8-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl)-2-methylpropanoate
CID 135155129
methyl (2S,3R)-3-[1'-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-3-cyclopropyl-2-methylpropanoate
CID 150944192
methyl (2S,3R)-3-cyclopropyl-2-methyl-3-[1'-[2-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 153277250
methyl (2R,3R)-3-cyclopropyl-2-methyl-3-[1'-[2-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 146225113
methyl 3-cyclopropyl-2-methyl-3-[4'-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]spiro[3,4-dihydrochromene-2,1'-cyclohexane]-7-yl]propanoate
CID 146225185
methyl (2S,3R)-3-[2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3,4-dihydro-2H-chromen-7-yl]-3-cyclopropyl-2-methylpropanoate
CID 153288447
methyl 3-[1'-[1-[5-bromo-2-(trifluoromethoxy)phenyl]ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-3-cyclopropyl-2-methylpropanoate
CID 146224953
methyl 3-cyclopropyl-2-methyl-3-[1'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 135155212
methyl (2R,3R)-3-cyclopropyl-2-methyl-3-[1'-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 146225108
methyl (2R,3R)-3-[1'-[[5-chloro-2-(trifluoromethoxy)phenyl]methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-3-cyclopropyl-2-methylpropanoate
CID 146225044
methyl 3-cyclopropyl-3-[4-hydroxy-4'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3,4-dihydrochromene-2,1'-cyclohexane]-7-yl]-2-methylpropanoate
CID 146225078
(2S,3R)-3-cyclopropyl-3-[1'-[(2-methoxy-5-methylphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-2-methylpropanoic acid
CID 147750485

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The IUPAC name of methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate (CID 146224999) is methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate.
What is the SMILES notation for methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The canonical SMILES for methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate is COC(=O)[C@H](C)[C@H](c1ccc2c(c1)OC1(CCNCC1)CC2)C1CC1.
What is the InChIKey of methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
The InChIKey is OVPFLFPXCMEWFC-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H29NO3/c1-14(20(23)24-2)19(16-4-5-16)17-6-3-15-7-8-21(25-18(15)13-17)9-11-22-12-10-21/h3,6,13-14,16,19,22H,4-5,7-12H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate?
methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate has a molecular weight of 343.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate is sourced from PubChem (CID 146224999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).