3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

C20H25ClN2O2 — CID 4786854

IUPAC3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2
InChIInChI=1S/C20H25ClN2O2/c21-17-6-1-2-7-18(17)22-8-10-23(11-9-22)20(25)16-12-14-4-3-5-15(13-16)19(14)24/h1-2,6-7,14-16H,3-5,8-13H2
InChIKeyBHVAATMANRGIHU-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.38
Rot. Bonds2

About 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one (PubChem CID 4786854) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
PubChem CID4786854
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
SMILESO=C1C2CCCC1CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2
InChIInChI=1S/C20H25ClN2O2/c21-17-6-1-2-7-18(17)22-8-10-23(11-9-22)20(25)16-12-14-4-3-5-15(13-16)19(14)24/h1-2,6-7,14-16H,3-5,8-13H2
InChIKeyBHVAATMANRGIHU-UHFFFAOYSA-N
XLogP3.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 50985760
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
(1R,5R)-3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98398756
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 136515729
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one (CID 4786854) is 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one is O=C1C2CCCC1CC(C(=O)N1CCN(c3ccccc3Cl)CC1)C2.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one?
The InChIKey is BHVAATMANRGIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c21-17-6-1-2-7-18(17)22-8-10-23(11-9-22)20(25)16-12-14-4-3-5-15(13-16)19(14)24/h1-2,6-7,14-16H,3-5,8-13H2.
What are the key properties of 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one?
3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one has a molecular weight of 360.89 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 4786854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).