1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one

C17H24N2O3 — CID 75503965

IUPAC1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c20-16(2-1-15-3-7-18-8-4-15)19-9-12-22-14-17(13-19)5-10-21-11-6-17/h3-4,7-8H,1-2,5-6,9-14H2
InChIKeyNUKNAESITFMSGW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds3

About 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one

1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 75503965) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID75503965
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c20-16(2-1-15-3-7-18-8-4-15)19-9-12-22-14-17(13-19)5-10-21-11-6-17/h3-4,7-8H,1-2,5-6,9-14H2
InChIKeyNUKNAESITFMSGW-UHFFFAOYSA-N
XLogP1.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one with MolForge

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Related Compounds

1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
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
acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
CID 154922136
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one
CID 126779268
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
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
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
2-(dimethylamino)-1-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone
CID 97399466
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
8a-benzyl-7-(3-pyridin-4-ylpropanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146040915

Frequently Asked Questions

What is the IUPAC name of 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one (CID 75503965) is 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is NUKNAESITFMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(2-1-15-3-7-18-8-4-15)19-9-12-22-14-17(13-19)5-10-21-11-6-17/h3-4,7-8H,1-2,5-6,9-14H2.
What are the key properties of 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one?
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 75503965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).