(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one

C20H26N2O2 — CID 50985760

IUPAC(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@@H]2CCC[C@@H]1CC(C(=O)N1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C20H26N2O2/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/h1-3,7-8,15-17H,4-6,9-14H2/t15-,16-/m1/s1
InChIKeyIEHDTUKJQZUUJV-HZPDHXFCSA-N
MW326.44 g/mol
LogP2.73
Rot. Bonds2

About (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one

(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one (PubChem CID 50985760) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
PubChem CID50985760
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
SMILESO=C1[C@@H]2CCC[C@@H]1CC(C(=O)N1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C20H26N2O2/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/h1-3,7-8,15-17H,4-6,9-14H2/t15-,16-/m1/s1
InChIKeyIEHDTUKJQZUUJV-HZPDHXFCSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)piperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 4786854
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
(3-aminocyclohexyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860777
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
3-(4-cyclohexylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 136515729
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
(1R,5R)-3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98398756

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one (CID 50985760) is (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one is O=C1[C@@H]2CCC[C@@H]1CC(C(=O)N1CCN(c3ccccc3)CC1)C2.
What is the InChIKey of (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
The InChIKey is IEHDTUKJQZUUJV-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H26N2O2/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/h1-3,7-8,15-17H,4-6,9-14H2/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one?
(1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one has a molecular weight of 326.44 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(4-phenylpiperazine-1-carbonyl)bicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 50985760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).