acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one

C19H29N3O6 — CID 154922136

IUPACacetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC(=O)O.CC(=O)O.O=C(CCc1ccncc1)N1CCOC2(CCNC2)C1
InChIInChI=1S/C15H21N3O2.2C2H4O2/c19-14(2-1-13-3-6-16-7-4-13)18-9-10-20-15(12-18)5-8-17-11-15;2*1-2(3)4/h3-4,6-7,17H,1-2,5,8-12H2;2*1H3,(H,3,4)
InChIKeyWXHURPSOWXFRRR-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.79
Rot. Bonds3

About acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one

acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 154922136) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Nameacetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID154922136
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nameacetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC(=O)O.CC(=O)O.O=C(CCc1ccncc1)N1CCOC2(CCNC2)C1
InChIInChI=1S/C15H21N3O2.2C2H4O2/c19-14(2-1-13-3-6-16-7-4-13)18-9-10-20-15(12-18)5-8-17-11-15;2*1-2(3)4/h3-4,6-7,17H,1-2,5,8-12H2;2*1H3,(H,3,4)
InChIKeyWXHURPSOWXFRRR-UHFFFAOYSA-N
XLogP0.79
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 154870166
1-(3,3-dimethylpiperazin-1-yl)-4-pyridin-4-ylbutan-1-one
CID 115273253
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 82038184
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
CID 131932995
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one (CID 154922136) is acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one is CC(=O)O.CC(=O)O.O=C(CCc1ccncc1)N1CCOC2(CCNC2)C1.
What is the InChIKey of acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is WXHURPSOWXFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.2C2H4O2/c19-14(2-1-13-3-6-16-7-4-13)18-9-10-20-15(12-18)5-8-17-11-15;2*1-2(3)4/h3-4,6-7,17H,1-2,5,8-12H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one?
acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 395.46 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 154922136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).