[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

C19H30N4O2 — CID 131645555

IUPAC[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1CN1CCC2(CCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O2/c1-15-16(12-21(2)20-15)13-22-7-6-19(14-22)5-3-4-17(19)18(24)23-8-10-25-11-9-23/h12,17H,3-11,13-14H2,1-2H3
InChIKeyLHKIMAVKYRDURP-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.58
Rot. Bonds3

About [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone

[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (PubChem CID 131645555) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
PubChem CID131645555
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
SMILESCc1nn(C)cc1CN1CCC2(CCCC2C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H30N4O2/c1-15-16(12-21(2)20-15)13-22-7-6-19(14-22)5-3-4-17(19)18(24)23-8-10-25-11-9-23/h12,17H,3-11,13-14H2,1-2H3
InChIKeyLHKIMAVKYRDURP-UHFFFAOYSA-N
XLogP1.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
(3,3-difluoroazetidin-1-yl)-[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896562
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 98896563
[(5R,9R)-2-methylsulfonyl-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98896559
(5S,9S)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonane-9-carboxamide
CID 98897364
(3,3-difluoroazetidin-1-yl)-[(5R,9R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]methanone
CID 125220060
1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 83094521

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone (CID 131645555) is [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is Cc1nn(C)cc1CN1CCC2(CCCC2C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
The InChIKey is LHKIMAVKYRDURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-16(12-21(2)20-15)13-22-7-6-19(14-22)5-3-4-17(19)18(24)23-8-10-25-11-9-23/h12,17H,3-11,13-14H2,1-2H3.
What are the key properties of [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone?
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone has a molecular weight of 346.48 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 131645555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).