1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

C19H28N4O4 — CID 91925528

IUPAC1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCOCC2
InChIInChI=1S/C19H28N4O4/c1-13-12-15(21(2)20-13)17(24)22-8-4-14(5-9-22)23-18(25)16(26-3)19(23)6-10-27-11-7-19/h12,14,16H,4-11H2,1-3H3
InChIKeyYSOXUZAJPFPCLM-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.74
Rot. Bonds3

About 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one

1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925528) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925528
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCOC1C(=O)N(C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCOCC2
InChIInChI=1S/C19H28N4O4/c1-13-12-15(21(2)20-13)17(24)22-8-4-14(5-9-22)23-18(25)16(26-3)19(23)6-10-27-11-7-19/h12,14,16H,4-11H2,1-3H3
InChIKeyYSOXUZAJPFPCLM-UHFFFAOYSA-N
XLogP0.74
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 53151095
(1,5-Dimethylpyrazol-3-yl)-[3-[2-methylpropyl(oxan-4-yl)amino]azetidin-1-yl]methanone
CID 91909804
1-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912889
3-(Cyclopropylmethoxy)-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912907
3-(Cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91912908
3-Methoxy-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925526
1-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925527
3-(Cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925545
3-(Cyclopropylmethoxy)-1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925546
3-(Cyclopropylmethoxy)-1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925551
3-(Cyclopropylmethoxy)-1-[1-(1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonane
CID 124045013
N-[4-(2-methoxyethyl)-1-(oxan-4-yl)piperidin-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 124045988

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925528) is 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is COC1C(=O)N(C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCOCC2.
What is the InChIKey of 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is YSOXUZAJPFPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13-12-15(21(2)20-13)17(24)22-8-4-14(5-9-22)23-18(25)16(26-3)19(23)6-10-27-11-7-19/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one?
1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 376.46 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-methoxy-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).