(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone

C16H23N3O — CID 3233473

IUPAC(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
SMILESCN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H23N3O/c1-18-10-2-5-16(13-18)6-11-19(12-7-16)15(20)14-3-8-17-9-4-14/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyATEJPEUAXGOBTF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.03
Rot. Bonds1

About (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone

(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone (PubChem CID 3233473) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
PubChem CID3233473
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
SMILESCN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1
InChIInChI=1S/C16H23N3O/c1-18-10-2-5-16(13-18)6-11-19(12-7-16)15(20)14-3-8-17-9-4-14/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyATEJPEUAXGOBTF-UHFFFAOYSA-N
XLogP2.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The IUPAC name of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone (CID 3233473) is (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone is CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1.
What is the InChIKey of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
The InChIKey is ATEJPEUAXGOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-10-2-5-16(13-18)6-11-19(12-7-16)15(20)14-3-8-17-9-4-14/h3-4,8-9H,2,5-7,10-13H2,1H3.
What are the key properties of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone?
(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 3233473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).