morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C20H30N4O2 — CID 97450345

IUPACmorpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c25-19(24-13-15-26-16-14-24)23-11-6-20(7-12-23)4-9-22(10-5-20)17-18-3-1-2-8-21-18/h1-3,8H,4-7,9-17H2
InChIKeyHWHUJXDLHJEGTK-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.21
Rot. Bonds2

About morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 97450345) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID97450345
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Namemorpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1
InChIInChI=1S/C20H30N4O2/c25-19(24-13-15-26-16-14-24)23-11-6-20(7-12-23)4-9-22(10-5-20)17-18-3-1-2-8-21-18/h1-3,8H,4-7,9-17H2
InChIKeyHWHUJXDLHJEGTK-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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Related Compounds

morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
3-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450333
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
1-morpholin-4-yl-2-[(1S)-1'-(pyridin-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97375942
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
2-methoxy-1-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 171672878
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
3-(pyridin-2-ylmethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155847164
1-[(6S)-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97495173
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
(6-morpholin-4-ylpyridazin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121028249

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 97450345) is morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1.
What is the InChIKey of morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is HWHUJXDLHJEGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(24-13-15-26-16-14-24)23-11-6-20(7-12-23)4-9-22(10-5-20)17-18-3-1-2-8-21-18/h1-3,8H,4-7,9-17H2.
What are the key properties of morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-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-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 97450345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).