morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H30N4O2 — CID 97450463

IUPACmorpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H30N4O2/c25-19(24-12-14-26-15-13-24)23-10-6-20(7-11-23)5-3-9-22(17-20)16-18-4-1-2-8-21-18/h1-2,4,8H,3,5-7,9-17H2
InChIKeyYRGPZBLNCLQBQH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.21
Rot. Bonds2

About morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97450463) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97450463
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Namemorpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H30N4O2/c25-19(24-12-14-26-15-13-24)23-10-6-20(7-11-23)5-3-9-22(17-20)16-18-4-1-2-8-21-18/h1-2,4,8H,3,5-7,9-17H2
InChIKeyYRGPZBLNCLQBQH-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97450463) is morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(N1CCOCC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1.
What is the InChIKey of morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is YRGPZBLNCLQBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(24-12-14-26-15-13-24)23-10-6-20(7-11-23)5-3-9-22(17-20)16-18-4-1-2-8-21-18/h1-2,4,8H,3,5-7,9-17H2.
What are the key properties of morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97450463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).