methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate

C15H23N3O2 — CID 120907305

IUPACmethyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1
InChIInChI=1S/C15H23N3O2/c1-20-14(19)13-3-2-12(17-13)10-18-9-6-15(11-18)4-7-16-8-5-15/h2-3,16-17H,4-11H2,1H3
InChIKeyKXQLSUZUJSYSDD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.38
Rot. Bonds3

About methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate

methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate (PubChem CID 120907305) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate
PubChem CID120907305
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1
InChIInChI=1S/C15H23N3O2/c1-20-14(19)13-3-2-12(17-13)10-18-9-6-15(11-18)4-7-16-8-5-15/h2-3,16-17H,4-11H2,1H3
InChIKeyKXQLSUZUJSYSDD-UHFFFAOYSA-N
XLogP1.38
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 120907061
methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
methyl 5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-2-hydroxybenzoate
CID 95206949
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
methyl 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120912318

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate (CID 120907305) is methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(CN2CCC3(CCNCC3)C2)[nH]1.
What is the InChIKey of methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate?
The InChIKey is KXQLSUZUJSYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14(19)13-3-2-12(17-13)10-18-9-6-15(11-18)4-7-16-8-5-15/h2-3,16-17H,4-11H2,1H3.
What are the key properties of methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate?
methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 120907305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).