piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H24N4O — CID 66996021

IUPACpiperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1CCCCC1)N1C2CCC1CC(c1cncnc1)C2
InChIInChI=1S/C17H24N4O/c22-17(20-6-2-1-3-7-20)21-15-4-5-16(21)9-13(8-15)14-10-18-12-19-11-14/h10-13,15-16H,1-9H2
InChIKeyOZTSCFJAVTYYBV-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.79
Rot. Bonds1

About piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone

piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 66996021) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID66996021
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Namepiperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1CCCCC1)N1C2CCC1CC(c1cncnc1)C2
InChIInChI=1S/C17H24N4O/c22-17(20-6-2-1-3-7-20)21-15-4-5-16(21)9-13(8-15)14-10-18-12-19-11-14/h10-13,15-16H,1-9H2
InChIKeyOZTSCFJAVTYYBV-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 66996021) is piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(N1CCCCC1)N1C2CCC1CC(c1cncnc1)C2.
What is the InChIKey of piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is OZTSCFJAVTYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17(20-6-2-1-3-7-20)21-15-4-5-16(21)9-13(8-15)14-10-18-12-19-11-14/h10-13,15-16H,1-9H2.
What are the key properties of piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 300.41 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 66996021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).