3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone

C17H30N2O2 — CID 171153397

IUPAC3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CC3CCCC(C3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-21-10-9-18-7-5-16(6-8-18)17(20)19-12-14-3-2-4-15(11-14)13-19/h14-16H,2-13H2,1H3
InChIKeyXWJYCZDVOXTLAP-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.99
Rot. Bonds4

About 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone

3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone (PubChem CID 171153397) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
PubChem CID171153397
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
SMILESCOCCN1CCC(C(=O)N2CC3CCCC(C3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-21-10-9-18-7-5-16(6-8-18)17(20)19-12-14-3-2-4-15(11-14)13-19/h14-16H,2-13H2,1H3
InChIKeyXWJYCZDVOXTLAP-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride
CID 154907860
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
CID 58488078
(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 126423113
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134701430
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166
(3S)-1-[1-(2-methoxyethyl)piperidine-4-carbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97132044
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
(3aS,6aS)-5-(cyclobutanecarbonyl)-2-(2-methoxyethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72876852
[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 111432780

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone (CID 171153397) is 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone is COCCN1CCC(C(=O)N2CC3CCCC(C3)C2)CC1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
The InChIKey is XWJYCZDVOXTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-21-10-9-18-7-5-16(6-8-18)17(20)19-12-14-3-2-4-15(11-14)13-19/h14-16H,2-13H2,1H3.
What are the key properties of 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone?
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 171153397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).