methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate

C14H19N3O2 — CID 3233010

IUPACmethyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C14H19N3O2/c1-19-13(18)16-8-5-14(6-9-16)10-17(11-14)12-4-2-3-7-15-12/h2-4,7H,5-6,8-11H2,1H3
InChIKeyACMFBLTXXMRJPW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.75
Rot. Bonds1

About methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate

methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3233010) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3233010
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C14H19N3O2/c1-19-13(18)16-8-5-14(6-9-16)10-17(11-14)12-4-2-3-7-15-12/h2-4,7H,5-6,8-11H2,1H3
InChIKeyACMFBLTXXMRJPW-UHFFFAOYSA-N
XLogP1.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3233010) is methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate is COC(=O)N1CCC2(CC1)CN(c1ccccn1)C2.
What is the InChIKey of methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ACMFBLTXXMRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13(18)16-8-5-14(6-9-16)10-17(11-14)12-4-2-3-7-15-12/h2-4,7H,5-6,8-11H2,1H3.
What are the key properties of methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate?
methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3233010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).