N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C18H19F3N2O — CID 141293230

IUPACN-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)5-8-23-6-3-12(4-7-23)22-17(24)14-2-1-13-15-9-11(15)10-16(13)14/h1-2,10,12H,3-9H2,(H,22,24)
InChIKeyJQNUPCBEOVGMTK-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293230) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293230
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)5-8-23-6-3-12(4-7-23)22-17(24)14-2-1-13-15-9-11(15)10-16(13)14/h1-2,10,12H,3-9H2,(H,22,24)
InChIKeyJQNUPCBEOVGMTK-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293230) is N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is JQNUPCBEOVGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)5-8-23-6-3-12(4-7-23)22-17(24)14-2-1-13-15-9-11(15)10-16(13)14/h1-2,10,12H,3-9H2,(H,22,24).
What are the key properties of N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).