ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one

C22H39N3O — CID 177041228

IUPACethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
SMILESCC.CCCC(C)=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C
InChIInChI=1S/C15H23N3.C5H10O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-3-4-5(2)6;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyFBNLXLHENIJKHO-UHFFFAOYSA-N
MW361.57 g/mol
LogP4.69
Rot. Bonds5

About ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one

ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one (PubChem CID 177041228) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one.

Molecular Properties

Compound Nameethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
PubChem CID177041228
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC Nameethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
SMILESCC.CCCC(C)=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C
InChIInChI=1S/C15H23N3.C5H10O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-3-4-5(2)6;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKeyFBNLXLHENIJKHO-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
CID 177040837
8-(2-methyl-3-propyl-4-pyridinyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 177040445
3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;2,6-dimethyl-5-propylpyrazolo[3,4-b]pyridine;pentan-2-one
CID 177040595
3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one
CID 177040757
2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
CID 177040578
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 177040248
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
CID 177040247
ethane;(Z)-2-ethoxy-N-methyl-N-[(E)-2-methylpent-1-enyl]-N'-[(E)-3-methylpent-2-en-2-yl]pent-2-enimidamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;pentan-2-one
CID 177040426
butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
CID 177040895
N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine
CID 177040477
butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
CID 177040339
1-[4-(3,3-dimethylpiperazin-1-yl)-3-propyl-2-pyridinyl]-9-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)nonan-5-one;molecular hydrogen
CID 177040016

Frequently Asked Questions

What is the IUPAC name of ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one?
The IUPAC name of ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one (CID 177041228) is ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one.
What is the SMILES notation for ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one?
The canonical SMILES for ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one is CC.CCCC(C)=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C.
What is the InChIKey of ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one?
The InChIKey is FBNLXLHENIJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C5H10O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-3-4-5(2)6;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one?
ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one has a molecular weight of 361.57 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one is sourced from PubChem (CID 177041228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).