ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone

C19H36N2O2 — CID 168882155

IUPACethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
SMILESCC.CC.CC(=O)C1CC12CCN(C(=O)C1CCN(C)CC1)C2
InChIInChI=1S/C15H24N2O2.2C2H6/c1-11(18)13-9-15(13)5-8-17(10-15)14(19)12-3-6-16(2)7-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyWSYIABFDKCAANO-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.21
Rot. Bonds2

About ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone

ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone (PubChem CID 168882155) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
PubChem CID168882155
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nameethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
SMILESCC.CC.CC(=O)C1CC12CCN(C(=O)C1CCN(C)CC1)C2
InChIInChI=1S/C15H24N2O2.2C2H6/c1-11(18)13-9-15(13)5-8-17(10-15)14(19)12-3-6-16(2)7-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyWSYIABFDKCAANO-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
cyclobutyl-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]methanone
CID 72861703
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
CID 168882457

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone?
The IUPAC name of ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone (CID 168882155) is ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone.
What is the SMILES notation for ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone?
The canonical SMILES for ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone is CC.CC.CC(=O)C1CC12CCN(C(=O)C1CCN(C)CC1)C2.
What is the InChIKey of ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone?
The InChIKey is WSYIABFDKCAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.2C2H6/c1-11(18)13-9-15(13)5-8-17(10-15)14(19)12-3-6-16(2)7-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone?
ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone has a molecular weight of 324.51 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone is sourced from PubChem (CID 168882155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).