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

C19H21F3N2O — CID 141293192

IUPACN-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)5-8-24-6-3-12(4-7-24)11-23-18(25)15-2-1-14-16-9-13(16)10-17(14)15/h1-2,10,12H,3-9,11H2,(H,23,25)
InChIKeyZXWIWJFKZQYBGD-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.27
Rot. Bonds5

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

N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293192) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]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]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293192
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NCC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)5-8-24-6-3-12(4-7-24)11-23-18(25)15-2-1-14-16-9-13(16)10-17(14)15/h1-2,10,12H,3-9,11H2,(H,23,25)
InChIKeyZXWIWJFKZQYBGD-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.27
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]methyl]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]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293192) is N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]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]methyl]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]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NCC1CCN(CCC(F)(F)F)CC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is ZXWIWJFKZQYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)5-8-24-6-3-12(4-7-24)11-23-18(25)15-2-1-14-16-9-13(16)10-17(14)15/h1-2,10,12H,3-9,11H2,(H,23,25).
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.27, 5 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]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).