3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

C17H23N3O3 — CID 56715208

IUPAC3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)ccn1
InChIInChI=1S/C17H23N3O3/c1-23-15-12-13(3-8-19-15)16(22)20-10-6-17(7-11-20)4-2-14(21)18-9-5-17/h3,8,12H,2,4-7,9-11H2,1H3,(H,18,21)
InChIKeyFJHMFMSLWSFBEA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.61
Rot. Bonds2

About 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one

3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56715208) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56715208
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)ccn1
InChIInChI=1S/C17H23N3O3/c1-23-15-12-13(3-8-19-15)16(22)20-10-6-17(7-11-20)4-2-14(21)18-9-5-17/h3,8,12H,2,4-7,9-11H2,1H3,(H,18,21)
InChIKeyFJHMFMSLWSFBEA-UHFFFAOYSA-N
XLogP1.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066
8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72871159
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
3-(2-methoxypyridine-4-carbonyl)-9,9-dimethyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138384370
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 176500220
9-(2-methylpyridine-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 155579356
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461
3-(2-chloro-4,5-difluorobenzoyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 91795693

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one (CID 56715208) is 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is COc1cc(C(=O)N2CCC3(CCNC(=O)CC3)CC2)ccn1.
What is the InChIKey of 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is FJHMFMSLWSFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-12-13(3-8-19-15)16(22)20-10-6-17(7-11-20)4-2-14(21)18-9-5-17/h3,8,12H,2,4-7,9-11H2,1H3,(H,18,21).
What are the key properties of 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one?
3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 317.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56715208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).