phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone

C16H17NOSe — CID 43833545

IUPACphenyl-(5-piperidin-1-ylselenophen-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc(N2CCCCC2)[se]1
InChIInChI=1S/C16H17NOSe/c18-16(13-7-3-1-4-8-13)14-9-10-15(19-14)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyYFTMFUNBCNENCA-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.96
Rot. Bonds3

About phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone

phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone (PubChem CID 43833545) has the molecular formula C16H17NOSe and a molecular weight of 318.28 g/mol. Its IUPAC name is phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(5-piperidin-1-ylselenophen-2-yl)methanone
PubChem CID43833545
Molecular FormulaC16H17NOSe
Molecular Weight318.28 g/mol
Exact Mass319.05
IUPAC Namephenyl-(5-piperidin-1-ylselenophen-2-yl)methanone
SMILESO=C(c1ccccc1)c1ccc(N2CCCCC2)[se]1
InChIInChI=1S/C16H17NOSe/c18-16(13-7-3-1-4-8-13)14-9-10-15(19-14)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyYFTMFUNBCNENCA-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-4-piperidin-1-ylcyclobut-3-ene-1,2-dione
CID 11832441
5-piperidin-1-ylselenophene-2-carbaldehyde
CID 140718533
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
CID 173035941
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone
CID 86034172
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
diphenylmethanone;ethane
CID 158014879
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
diphenylmethanone
CID 3102
carbamic acid;1-phenylpiperidine
CID 161473217
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone?
The IUPAC name of phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone (CID 43833545) is phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone.
What is the SMILES notation for phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone?
The canonical SMILES for phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone is O=C(c1ccccc1)c1ccc(N2CCCCC2)[se]1.
What is the InChIKey of phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone?
The InChIKey is YFTMFUNBCNENCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOSe/c18-16(13-7-3-1-4-8-13)14-9-10-15(19-14)17-11-5-2-6-12-17/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone?
phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone has a molecular weight of 318.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-piperidin-1-ylselenophen-2-yl)methanone is sourced from PubChem (CID 43833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).