CID 89265211

C17H24BN3O2 — CID 89265211

IUPAC—
SMILES[B]c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1
InChIInChI=1S/C17H24BN3O2/c1-16(2,3)23-15(22)20-8-6-17(7-9-20)11-21(12-17)14-5-4-13(18)10-19-14/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyKVDIYCMPJQJISW-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.71
Rot. Bonds1

About CID 89265211

CID 89265211 (PubChem CID 89265211) has the molecular formula C17H24BN3O2 and a molecular weight of 313.21 g/mol.

Molecular Properties

Compound NameCID 89265211
PubChem CID89265211
Molecular FormulaC17H24BN3O2
Molecular Weight313.21 g/mol
Exact Mass313.20
IUPAC Name—
SMILES[B]c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1
InChIInChI=1S/C17H24BN3O2/c1-16(2,3)23-15(22)20-8-6-17(7-9-20)11-21(12-17)14-5-4-13(18)10-19-14/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyKVDIYCMPJQJISW-UHFFFAOYSA-N
XLogP1.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 165130455
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl 2-(6-amino-5-nitro-2-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 169033421
tert-butyl 4-[5-(hydroxyamino)-2-pyridinyl]piperazine-1-carboxylate
CID 143289183
tert-butyl 2-[5-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155345447
tert-butyl 6-pyrazin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 132850081
tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
tert-butyl 2-(5-phenoxypyrimidin-4-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167214011
CID 166471893
CID 166471893
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305
6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 2771843

Frequently Asked Questions

What is the IUPAC name of CID 89265211?
The IUPAC name of CID 89265211 (CID 89265211) is not available.
What is the SMILES notation for CID 89265211?
The canonical SMILES for CID 89265211 is [B]c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nc1.
What is the InChIKey of CID 89265211?
The InChIKey is KVDIYCMPJQJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BN3O2/c1-16(2,3)23-15(22)20-8-6-17(7-9-20)11-21(12-17)14-5-4-13(18)10-19-14/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of CID 89265211?
CID 89265211 has a molecular weight of 313.21 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89265211 is sourced from PubChem (CID 89265211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).