ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone

C16H28N2O2 — CID 168882568

IUPACethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone
SMILESCC.CC(=O)C1C2CC1CN(C(=O)C1CCNCC1)C2
InChIInChI=1S/C14H22N2O2.C2H6/c1-9(17)13-11-6-12(13)8-16(7-11)14(18)10-2-4-15-5-3-10;1-2/h10-13,15H,2-8H2,1H3;1-2H3
InChIKeyMUIGCLBSXKVANI-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.70
Rot. Bonds2

About ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone

ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone (PubChem CID 168882568) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone
PubChem CID168882568
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone
SMILESCC.CC(=O)C1C2CC1CN(C(=O)C1CCNCC1)C2
InChIInChI=1S/C14H22N2O2.C2H6/c1-9(17)13-11-6-12(13)8-16(7-11)14(18)10-2-4-15-5-3-10;1-2/h10-13,15H,2-8H2,1H3;1-2H3
InChIKeyMUIGCLBSXKVANI-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129499446
1-piperidin-4-ylethanone
CID 2723764
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
(6-propan-2-yl-3-azabicyclo[3.1.1]heptan-3-yl)-(1-propan-2-ylpiperidin-4-yl)methanone
CID 177247408
ethane;piperidin-4-yl-(2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 176934946
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The IUPAC name of ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone (CID 168882568) is ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone.
What is the SMILES notation for ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The canonical SMILES for ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone is CC.CC(=O)C1C2CC1CN(C(=O)C1CCNCC1)C2.
What is the InChIKey of ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone?
The InChIKey is MUIGCLBSXKVANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.C2H6/c1-9(17)13-11-6-12(13)8-16(7-11)14(18)10-2-4-15-5-3-10;1-2/h10-13,15H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone?
ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(piperidine-4-carbonyl)-3-azabicyclo[3.1.1]heptan-6-yl]ethanone is sourced from PubChem (CID 168882568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).