6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone

C22H39N3O3 — CID 143431514

IUPAC6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone
SMILESCC1CC2CC(CC(C)(C(N)=O)C2)C1O.O=C(N1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2.C10H18N2O/c1-7-3-8-4-9(10(7)14)6-12(2,5-8)11(13)15;13-10(12-8-4-5-9-12)11-6-2-1-3-7-11/h7-10,14H,3-6H2,1-2H3,(H2,13,15);1-9H2
InChIKeyAGKLQPDVLYSMMU-UHFFFAOYSA-N
MW393.57 g/mol
LogP2.98
Rot. Bonds1

About 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone

6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone (PubChem CID 143431514) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone
PubChem CID143431514
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC Name6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone
SMILESCC1CC2CC(CC(C)(C(N)=O)C2)C1O.O=C(N1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO2.C10H18N2O/c1-7-3-8-4-9(10(7)14)6-12(2,5-8)11(13)15;13-10(12-8-4-5-9-12)11-6-2-1-3-7-11/h7-10,14H,3-6H2,1-2H3,(H2,13,15);1-9H2
InChIKeyAGKLQPDVLYSMMU-UHFFFAOYSA-N
XLogP2.98
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-6-[(1-methylcyclopentanecarbonyl)amino]bicyclo[3.3.1]nonane-3-carboxamide
CID 144522898
2-(6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carbonyl)sulfanylethanesulfonic acid
CID 134285786
2-(2-methyl-1-adamantyl)-1-piperidin-1-ylpropan-1-one
CID 142755612
(3-amino-3-methylazetidin-1-yl)-piperidin-1-ylmethanone
CID 79155212
2-methyladamantane-1-carboxamide
CID 18421545
6-[[2-[(2-chlorophenyl)sulfanylamino]-2-methylpropanoyl]amino]-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide
CID 144522571
6-[[1-[(3-fluoro-4-methylphenyl)sulfanylamino]cyclohexanecarbonyl]amino]-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide
CID 144522865
1-[(2-bromophenyl)sulfanylamino]cyclobutane-1-carbaldehyde;3,7-dimethyl-6-(methylamino)bicyclo[3.3.1]nonane-3-carboxamide
CID 144522442
(3,5-dimethyl-3-bicyclo[5.1.1]nonanyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 123513598
1-adamantyl(azepan-1-yl)methanone
CID 2838808
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
(4-methylsulfonylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 113220293

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone (CID 143431514) is 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone is CC1CC2CC(CC(C)(C(N)=O)C2)C1O.O=C(N1CCCCC1)N1CCCC1.
What is the InChIKey of 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone?
The InChIKey is AGKLQPDVLYSMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.C10H18N2O/c1-7-3-8-4-9(10(7)14)6-12(2,5-8)11(13)15;13-10(12-8-4-5-9-12)11-6-2-1-3-7-11/h7-10,14H,3-6H2,1-2H3,(H2,13,15);1-9H2.
What are the key properties of 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone?
6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone has a molecular weight of 393.57 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,7-dimethylbicyclo[3.3.1]nonane-3-carboxamide;piperidin-1-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 143431514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).