CID 161117119

C11H24BN3OP — CID 161117119

IUPAC—
SMILESC.C[B]N1CCCC(c2noc(CC)n2)C1.P
InChIInChI=1S/C10H17BN3O.CH4.H3P/c1-3-9-12-10(13-15-9)8-5-4-6-14(7-8)11-2;;/h8H,3-7H2,1-2H3;1H4;1H3
InChIKeyIBUPEFLNIWNOSE-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.17
Rot. Bonds3

About CID 161117119

CID 161117119 (PubChem CID 161117119) has the molecular formula C11H24BN3OP and a molecular weight of 256.12 g/mol.

Molecular Properties

Compound NameCID 161117119
PubChem CID161117119
Molecular FormulaC11H24BN3OP
Molecular Weight256.12 g/mol
Exact Mass256.18
IUPAC Name—
SMILESC.C[B]N1CCCC(c2noc(CC)n2)C1.P
InChIInChI=1S/C10H17BN3O.CH4.H3P/c1-3-9-12-10(13-15-9)8-5-4-6-14(7-8)11-2;;/h8H,3-7H2,1-2H3;1H4;1H3
InChIKeyIBUPEFLNIWNOSE-UHFFFAOYSA-N
XLogP2.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
CID 59268978
CID 59268978
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 95772529
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95221941
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 95774244
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081354
(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
CID 97359349
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773

Frequently Asked Questions

What is the IUPAC name of CID 161117119?
The IUPAC name of CID 161117119 (CID 161117119) is not available.
What is the SMILES notation for CID 161117119?
The canonical SMILES for CID 161117119 is C.C[B]N1CCCC(c2noc(CC)n2)C1.P.
What is the InChIKey of CID 161117119?
The InChIKey is IBUPEFLNIWNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN3O.CH4.H3P/c1-3-9-12-10(13-15-9)8-5-4-6-14(7-8)11-2;;/h8H,3-7H2,1-2H3;1H4;1H3.
What are the key properties of CID 161117119?
CID 161117119 has a molecular weight of 256.12 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161117119 is sourced from PubChem (CID 161117119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).