(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone

C15H20BrN3O — CID 107520090

IUPAC(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCNCC12CCCCC2
InChIInChI=1S/C15H20BrN3O/c16-12-5-4-8-18-13(12)14(20)19-10-9-17-11-15(19)6-2-1-3-7-15/h4-5,8,17H,1-3,6-7,9-11H2
InChIKeySKIMXNQBWTYYEJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.59
Rot. Bonds1

About (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone

(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone (PubChem CID 107520090) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
PubChem CID107520090
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
SMILESO=C(c1ncccc1Br)N1CCNCC12CCCCC2
InChIInChI=1S/C15H20BrN3O/c16-12-5-4-8-18-13(12)14(20)19-10-9-17-11-15(19)6-2-1-3-7-15/h4-5,8,17H,1-3,6-7,9-11H2
InChIKeySKIMXNQBWTYYEJ-UHFFFAOYSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone (CID 107520090) is (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone is O=C(c1ncccc1Br)N1CCNCC12CCCCC2.
What is the InChIKey of (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone?
The InChIKey is SKIMXNQBWTYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-12-5-4-8-18-13(12)14(20)19-10-9-17-11-15(19)6-2-1-3-7-15/h4-5,8,17H,1-3,6-7,9-11H2.
What are the key properties of (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone?
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone has a molecular weight of 338.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone is sourced from PubChem (CID 107520090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).