1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone

C19H26N2O2 — CID 11896902

IUPAC1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C19H26N2O2/c22-19(14-23-17-4-2-1-3-5-17)21-10-8-20(9-11-21)18-13-15-6-7-16(18)12-15/h1-5,15-16,18H,6-14H2/t15-,16+,18+/m0/s1
InChIKeyLPOBNCVBSGLGFD-LZLYRXPVSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds4

About 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 11896902) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID11896902
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C19H26N2O2/c22-19(14-23-17-4-2-1-3-5-17)21-10-8-20(9-11-21)18-13-15-6-7-16(18)12-15/h1-5,15-16,18H,6-14H2/t15-,16+,18+/m0/s1
InChIKeyLPOBNCVBSGLGFD-LZLYRXPVSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954098
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 51292586
1-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 129378387
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
phenyl 4-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazine-1-carboxylate
CID 98786241

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone (CID 11896902) is 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is LPOBNCVBSGLGFD-LZLYRXPVSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(14-23-17-4-2-1-3-5-17)21-10-8-20(9-11-21)18-13-15-6-7-16(18)12-15/h1-5,15-16,18H,6-14H2/t15-,16+,18+/m0/s1.
What are the key properties of 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 314.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 11896902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).