2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

C13H22N2O — CID 115033607

IUPAC2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(N2)C1CC1CCNCC1
InChIInChI=1S/C13H22N2O/c16-13-8-10-1-2-12(15-10)11(13)7-9-3-5-14-6-4-9/h9-12,14-15H,1-8H2
InChIKeySHLANFADJREPHA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.09
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 115033607) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID115033607
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(N2)C1CC1CCNCC1
InChIInChI=1S/C13H22N2O/c16-13-8-10-1-2-12(15-10)11(13)7-9-3-5-14-6-4-9/h9-12,14-15H,1-8H2
InChIKeySHLANFADJREPHA-UHFFFAOYSA-N
XLogP1.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,5S)-2-ethyl-9-azabicyclo[3.3.1]nonan-3-one
CID 131010892
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
2-(1,1-dioxothian-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 115048078
1-ethyl-3-(piperidin-4-ylmethyl)imidazol-2-one
CID 80580950
(3R)-3-(cyclopropylmethyl)piperidin-4-one
CID 96890245
5-(aminomethyl)azepan-3-one
CID 57274085
(6S)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 134159257
(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51000267
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
1-ethyl-5-(piperidin-4-ylmethylamino)pyridin-2-one
CID 79707302
5-(pyrrolidin-3-ylmethyl)-1,3-oxazolidin-2-one
CID 117158759
1-(piperidin-4-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 80581118

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 115033607) is 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(N2)C1CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is SHLANFADJREPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13-8-10-1-2-12(15-10)11(13)7-9-3-5-14-6-4-9/h9-12,14-15H,1-8H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 222.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 115033607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).