[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone

C16H26N4O2 — CID 131648665

IUPAC[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(C)C1CCOC2(CCN(C(=O)c3ccn(C)n3)CC2)C1
InChIInChI=1S/C16H26N4O2/c1-18(2)13-5-11-22-16(12-13)6-9-20(10-7-16)15(21)14-4-8-19(3)17-14/h4,8,13H,5-7,9-12H2,1-3H3
InChIKeyQWVBANIEJQFAPO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds2

About [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone

[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 131648665) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID131648665
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCN(C)C1CCOC2(CCN(C(=O)c3ccn(C)n3)CC2)C1
InChIInChI=1S/C16H26N4O2/c1-18(2)13-5-11-22-16(12-13)6-9-20(10-7-16)15(21)14-4-8-19(3)17-14/h4,8,13H,5-7,9-12H2,1-3H3
InChIKeyQWVBANIEJQFAPO-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]benzonitrile
CID 133139578
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 131691635
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
[(3S,5R)-3-[(dimethylamino)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97397134
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
[(3S)-3-(dimethylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridazin-4-ylmethanone
CID 97450581
(1-methylpyrazol-3-yl)-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97419168
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
N-cyclopropyl-N-[9-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 91919825
[(5S)-5-(ethoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone
CID 97474457

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone (CID 131648665) is [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone is CN(C)C1CCOC2(CCN(C(=O)c3ccn(C)n3)CC2)C1.
What is the InChIKey of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is QWVBANIEJQFAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(2)13-5-11-22-16(12-13)6-9-20(10-7-16)15(21)14-4-8-19(3)17-14/h4,8,13H,5-7,9-12H2,1-3H3.
What are the key properties of [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone?
[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 131648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).