piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone

C19H30F3N3O — CID 153334580

IUPACpiperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone
SMILESO=C(C1C2CC(C3CCNCC3)CCN2C1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C19H30F3N3O/c20-19(21,22)17-16(18(26)24-9-2-1-3-10-24)15-12-14(6-11-25(15)17)13-4-7-23-8-5-13/h13-17,23H,1-12H2
InChIKeyYXSCKLDJGFCJDI-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.64
Rot. Bonds2

About piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone

piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone (PubChem CID 153334580) has the molecular formula C19H30F3N3O and a molecular weight of 373.46 g/mol. Its IUPAC name is piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone
PubChem CID153334580
Molecular FormulaC19H30F3N3O
Molecular Weight373.46 g/mol
Exact Mass373.23
IUPAC Namepiperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone
SMILESO=C(C1C2CC(C3CCNCC3)CCN2C1C(F)(F)F)N1CCCCC1
InChIInChI=1S/C19H30F3N3O/c20-19(21,22)17-16(18(26)24-9-2-1-3-10-24)15-12-14(6-11-25(15)17)13-4-7-23-8-5-13/h13-17,23H,1-12H2
InChIKeyYXSCKLDJGFCJDI-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone?
The IUPAC name of piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone (CID 153334580) is piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone?
The canonical SMILES for piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone is O=C(C1C2CC(C3CCNCC3)CCN2C1C(F)(F)F)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone?
The InChIKey is YXSCKLDJGFCJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N3O/c20-19(21,22)17-16(18(26)24-9-2-1-3-10-24)15-12-14(6-11-25(15)17)13-4-7-23-8-5-13/h13-17,23H,1-12H2.
What are the key properties of piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone?
piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-piperidin-4-yl-8-(trifluoromethyl)-1-azabicyclo[4.2.0]octan-7-yl]methanone is sourced from PubChem (CID 153334580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).