ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone

C17H36N2O — CID 156836992

IUPACethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-11(16)15-9-5-13(6-10-15)12-3-7-14(2)8-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyXYWZCVGUJINDPM-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.64
Rot. Bonds1

About ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone

ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 156836992) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
PubChem CID156836992
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Nameethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC.CC.CC(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-11(16)15-9-5-13(6-10-15)12-3-7-14(2)8-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3
InChIKeyXYWZCVGUJINDPM-UHFFFAOYSA-N
XLogP3.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
Cambridge id 6578494
CID 883902
[1-(Cyclohexylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 3148936
[1-(Cyclohexylmethyl)piperidin-4-yl](4-methylpiperidin-1-yl)methanone
CID 3148941
1-[4-[1-(3-Methylbutyl)pyrrolidin-3-yl]piperidin-1-yl]propan-1-one
CID 91916525
1,6-Bis(4-methylpiperidin-1-yl)hexane-1,6-dione
CID 4990135
1-[4-Fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114649
1-[4-Fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 176740151

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone (CID 156836992) is ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone is CC.CC.CC(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is XYWZCVGUJINDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.2C2H6/c1-11(16)15-9-5-13(6-10-15)12-3-7-14(2)8-4-12;2*1-2/h12-13H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 284.49 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 156836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).