1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone

C17H25N3O2 — CID 118745338

IUPAC1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
SMILESCN1CCOCC2(CCCN(C(=O)Cc3ccncc3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-19-9-10-22-14-17(12-19)5-2-8-20(13-17)16(21)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-14H2,1H3
InChIKeyMLPBXTIPYFXMGD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.19
Rot. Bonds2

About 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone

1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone (PubChem CID 118745338) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
PubChem CID118745338
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
SMILESCN1CCOCC2(CCCN(C(=O)Cc3ccncc3)C2)C1
InChIInChI=1S/C17H25N3O2/c1-19-9-10-22-14-17(12-19)5-2-8-20(13-17)16(21)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-14H2,1H3
InChIKeyMLPBXTIPYFXMGD-UHFFFAOYSA-N
XLogP1.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone with MolForge

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Related Compounds

1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383
1-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-(4-methylphenyl)ethanone
CID 97471970
2-(4-methylsulfonylphenyl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97125075
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
1-[(6R)-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]-2-phenylethanone
CID 97449072
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 72907067

Frequently Asked Questions

What is the IUPAC name of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone (CID 118745338) is 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone is CN1CCOCC2(CCCN(C(=O)Cc3ccncc3)C2)C1.
What is the InChIKey of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone?
The InChIKey is MLPBXTIPYFXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-9-10-22-14-17(12-19)5-2-8-20(13-17)16(21)11-15-3-6-18-7-4-15/h3-4,6-7H,2,5,8-14H2,1H3.
What are the key properties of 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone?
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone has a molecular weight of 303.41 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 118745338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).