ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone

C16H31NO — CID 143432775

IUPACethane;1-(4-piperidin-1-ylcycloheptyl)ethanone
SMILESCC.CC(=O)C1CCCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25NO.C2H6/c1-12(16)13-6-5-7-14(9-8-13)15-10-3-2-4-11-15;1-2/h13-14H,2-11H2,1H3;1-2H3
InChIKeyISAQJBCPSBJKIC-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds2

About ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone

ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone (PubChem CID 143432775) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-piperidin-1-ylcycloheptyl)ethanone
PubChem CID143432775
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;1-(4-piperidin-1-ylcycloheptyl)ethanone
SMILESCC.CC(=O)C1CCCC(N2CCCCC2)CC1
InChIInChI=1S/C14H25NO.C2H6/c1-12(16)13-6-5-7-14(9-8-13)15-10-3-2-4-11-15;1-2/h13-14H,2-11H2,1H3;1-2H3
InChIKeyISAQJBCPSBJKIC-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
2-(1-Piperidinylmethyl)cycloheptanone
CID 2829711
(1R,2R,5S)-8-(3-fluoropropyl)-2-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 67209139
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
2beta-Propanoyl tropane
CID 129712120
(2S,10aS)-2-methyl-2,3,4,6,7,8,10,10a-octahydro-1H-pyrido[1,2-a]azepin-9-one
CID 162403326
6-Fluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-one
CID 171938014
5-Fluoro-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 171938694
2-(1-Piperidinylmethyl)cycloheptanone hydrochloride
CID 2829710
1-[(1R,2S,3S,5S)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10242199

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone?
The IUPAC name of ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone (CID 143432775) is ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone.
What is the SMILES notation for ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone?
The canonical SMILES for ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone is CC.CC(=O)C1CCCC(N2CCCCC2)CC1.
What is the InChIKey of ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone?
The InChIKey is ISAQJBCPSBJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO.C2H6/c1-12(16)13-6-5-7-14(9-8-13)15-10-3-2-4-11-15;1-2/h13-14H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone?
ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone has a molecular weight of 253.43 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-piperidin-1-ylcycloheptyl)ethanone is sourced from PubChem (CID 143432775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).