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

C18H19F3N2O — CID 141293038

IUPACN-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCCN(CCC(F)(F)F)C1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)5-7-23-6-1-2-12(10-23)22-17(24)14-4-3-13-15-8-11(15)9-16(13)14/h3-4,9,12H,1-2,5-8,10H2,(H,22,24)/t12-/m1/s1
InChIKeySFKFVNOBHOQFJW-GFCCVEGCSA-N
MW336.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293038) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293038
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCCN(CCC(F)(F)F)C1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C18H19F3N2O/c19-18(20,21)5-7-23-6-1-2-12(10-23)22-17(24)14-4-3-13-15-8-11(15)9-16(13)14/h3-4,9,12H,1-2,5-8,10H2,(H,22,24)/t12-/m1/s1
InChIKeySFKFVNOBHOQFJW-GFCCVEGCSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293038) is N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(N[C@@H]1CCCN(CCC(F)(F)F)C1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is SFKFVNOBHOQFJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-18(20,21)5-7-23-6-1-2-12(10-23)22-17(24)14-4-3-13-15-8-11(15)9-16(13)14/h3-4,9,12H,1-2,5-8,10H2,(H,22,24)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-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-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).