(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone

C15H26N2O — CID 178203118

IUPAC(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CCC(N)(CC1)CC2
InChIInChI=1S/C15H26N2O/c1-12-4-2-3-11-17(12)13(18)14-5-8-15(16,9-6-14)10-7-14/h12H,2-11,16H2,1H3
InChIKeyJZDHWOAHNXRLOY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.44
Rot. Bonds1

About (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone

(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 178203118) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID178203118
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CCC(N)(CC1)CC2
InChIInChI=1S/C15H26N2O/c1-12-4-2-3-11-17(12)13(18)14-5-8-15(16,9-6-14)10-7-14/h12H,2-11,16H2,1H3
InChIKeyJZDHWOAHNXRLOY-UHFFFAOYSA-N
XLogP2.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
[1-(aminomethyl)cyclobutyl]-(2-methylazepan-1-yl)methanone
CID 80599736
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
CID 110728183
2-(1-aminocyclobutyl)-1-(2-methylazepan-1-yl)ethanone
CID 79854226
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
CID 112793031
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone (CID 178203118) is (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C12CCC(N)(CC1)CC2.
What is the InChIKey of (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is JZDHWOAHNXRLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-4-2-3-11-17(12)13(18)14-5-8-15(16,9-6-14)10-7-14/h12H,2-11,16H2,1H3.
What are the key properties of (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone?
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 250.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 178203118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).