benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

C25H30N2O2 — CID 123455866

IUPACbenzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCc1ccc2c(c1)CCC2N1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C25H30N2O2/c1-19-7-9-22-21(15-19)8-10-23(22)27-17-25(18-27)11-13-26(14-12-25)24(28)29-16-20-5-3-2-4-6-20/h2-7,9,15,23H,8,10-14,16-18H2,1H3
InChIKeyPJBKQJBZJFYWSQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.72
Rot. Bonds3

About benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate

benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 123455866) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID123455866
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Namebenzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCc1ccc2c(c1)CCC2N1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C25H30N2O2/c1-19-7-9-22-21(15-19)8-10-23(22)27-17-25(18-27)11-13-26(14-12-25)24(28)29-16-20-5-3-2-4-6-20/h2-7,9,15,23H,8,10-14,16-18H2,1H3
InChIKeyPJBKQJBZJFYWSQ-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Related Compounds

2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
7-methyl-2-[(1R)-5-phenyl-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
CID 58438485
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 6-methyl-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxylate;1,1,1-trifluoro-N-methyl-N-phenylmethanesulfonamide
CID 123618452
benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
CID 118534996
2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 67406214
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 123455866) is benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is Cc1ccc2c(c1)CCC2N1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1.
What is the InChIKey of benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is PJBKQJBZJFYWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-19-7-9-22-21(15-19)8-10-23(22)27-17-25(18-27)11-13-26(14-12-25)24(28)29-16-20-5-3-2-4-6-20/h2-7,9,15,23H,8,10-14,16-18H2,1H3.
What are the key properties of benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate?
benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 123455866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).