3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

C22H31N3O2 — CID 142436857

IUPAC3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1cc(N2CC3(CN(CCC4CC5(CCCCC5)C(=O)O4)C3)C2)ccn1
InChIInChI=1S/C22H31N3O2/c1-17-11-18(5-9-23-17)25-15-21(16-25)13-24(14-21)10-6-19-12-22(20(26)27-19)7-3-2-4-8-22/h5,9,11,19H,2-4,6-8,10,12-16H2,1H3
InChIKeyUMHAYUZBFPAKJI-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.17
Rot. Bonds4

About 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one

3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (PubChem CID 142436857) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
PubChem CID142436857
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
SMILESCc1cc(N2CC3(CN(CCC4CC5(CCCCC5)C(=O)O4)C3)C2)ccn1
InChIInChI=1S/C22H31N3O2/c1-17-11-18(5-9-23-17)25-15-21(16-25)13-24(14-21)10-6-19-12-22(20(26)27-19)7-3-2-4-8-22/h5,9,11,19H,2-4,6-8,10,12-16H2,1H3
InChIKeyUMHAYUZBFPAKJI-UHFFFAOYSA-N
XLogP3.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[2-[2-(2,6-dimethyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 146315321
(3R)-3-[2-(2-pyridin-4-yl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
CID 135338368
3-[2-(2-pyridin-4-yl-2,6-diazaspiro[3.3]heptan-6-yl)ethyl]-2-oxaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 146315323
3-[2-[4-(4-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 118946947
(3R)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837585
5-[4-[2-(1-oxo-2-oxaspiro[4.5]decan-3-yl)ethyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 118947113
5-[4-[2-(5-oxo-6-oxaspiro[3.4]octan-7-yl)ethyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 122695674
3-[2-[4-(1H-inden-5-yl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 135298878
(3S)-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837559
3-[2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 86273130
(3S)-3-[2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837595
(3S)-3-[2-(4-anthracen-1-ylpiperazin-1-yl)ethyl]-2-oxaspiro[4.4]nonan-1-one
CID 140837521

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one (CID 142436857) is 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is Cc1cc(N2CC3(CN(CCC4CC5(CCCCC5)C(=O)O4)C3)C2)ccn1.
What is the InChIKey of 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
The InChIKey is UMHAYUZBFPAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-11-18(5-9-23-17)25-15-21(16-25)13-24(14-21)10-6-19-12-22(20(26)27-19)7-3-2-4-8-22/h5,9,11,19H,2-4,6-8,10,12-16H2,1H3.
What are the key properties of 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one?
3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one has a molecular weight of 369.51 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethyl]-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 142436857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).