(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone

C19H33NO — CID 123513598

IUPAC(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CC2CC(C2)CC(C)(C(=O)N2CCCC(C)(C)C2)C1
InChIInChI=1S/C19H33NO/c1-14-8-15-9-16(10-15)12-19(4,11-14)17(21)20-7-5-6-18(2,3)13-20/h14-16H,5-13H2,1-4H3
InChIKeyFYSRJDQBIWPIKN-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.49
Rot. Bonds1

About (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone

(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 123513598) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone
PubChem CID123513598
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CC2CC(C2)CC(C)(C(=O)N2CCCC(C)(C)C2)C1
InChIInChI=1S/C19H33NO/c1-14-8-15-9-16(10-15)12-19(4,11-14)17(21)20-7-5-6-18(2,3)13-20/h14-16H,5-13H2,1-4H3
InChIKeyFYSRJDQBIWPIKN-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

adamantane-1-carbonyl chloride;1-adamantyl-(3,3-dimethylpiperidin-1-yl)methanone;3,3-dimethylpiperidine
CID 159623674
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylcyclobutane-1-carboximidamide
CID 80594059
2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 123477131
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744342
3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031454
1-adamantyl(azepan-1-yl)methanone
CID 2838808
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
3-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidine-3-carboxamide
CID 136541656
1-(3,3-dimethylpiperidine-1-carbonyl)-N'-hydroxycycloheptane-1-carboximidamide
CID 77016550
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
CID 165465972

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone (CID 123513598) is (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone is CC1CC2CC(C2)CC(C)(C(=O)N2CCCC(C)(C)C2)C1.
What is the InChIKey of (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is FYSRJDQBIWPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14-8-15-9-16(10-15)12-19(4,11-14)17(21)20-7-5-6-18(2,3)13-20/h14-16H,5-13H2,1-4H3.
What are the key properties of (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone?
(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 291.48 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 123513598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).