3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one

C20H32N2O2 — CID 136515729

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CC(C(=O)N1CCN(C3CCCCC3)CC1)C2
InChIInChI=1S/C20H32N2O2/c23-19-15-5-4-6-16(19)14-17(13-15)20(24)22-11-9-21(10-12-22)18-7-2-1-3-8-18/h15-18H,1-14H2
InChIKeyLTRQUYPTSCNDME-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.86
Rot. Bonds2

About 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one

3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one (PubChem CID 136515729) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
PubChem CID136515729
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CC(C(=O)N1CCN(C3CCCCC3)CC1)C2
InChIInChI=1S/C20H32N2O2/c23-19-15-5-4-6-16(19)14-17(13-15)20(24)22-11-9-21(10-12-22)18-7-2-1-3-8-18/h15-18H,1-14H2
InChIKeyLTRQUYPTSCNDME-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 50985760
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
(1R,5R)-3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98398756
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
(3S)-3-(4-cyclohexylpiperazine-1-carbonyl)-1,4-thiazepan-5-one
CID 95986484
(3-aminocyclobutyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 116999420

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one (CID 136515729) is 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one is O=C1C2CCCC1CC(C(=O)N1CCN(C3CCCCC3)CC1)C2.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The InChIKey is LTRQUYPTSCNDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19-15-5-4-6-16(19)14-17(13-15)20(24)22-11-9-21(10-12-22)18-7-2-1-3-8-18/h15-18H,1-14H2.
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one has a molecular weight of 332.49 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 136515729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).