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

C18H19F3N2O — CID 141293076

IUPACN-[(3S)-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-/m0/s1
InChIKeySFKFVNOBHOQFJW-LBPRGKRZSA-N
MW336.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293076) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[(3S)-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-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293076
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[(3S)-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-/m0/s1
InChIKeySFKFVNOBHOQFJW-LBPRGKRZSA-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-[(3S)-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

Related Compounds

(2Z,4Z)-1-(2-ethyl-6-methylpiperazin-1-yl)-2-methyl-3-(trifluoromethyl)octa-2,4,7-trien-1-one
CID 91312680
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
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
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
N-piperidin-4-yl-2-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 145076435
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pentalene-1-carboxamide
CID 159351801
N-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pentalene-1-carboxamide
CID 159351802
N-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]pentalene-1-carboxamide
CID 159536092
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
CID 160041234
N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pentalene-1-carboxamide
CID 161930572
N-(1-cyclopropylpiperidin-4-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 36267369
(2Z,4Z)-1-(2-ethyl-6-methylpiperazin-1-yl)-2-methyl-3-(trifluoromethyl)octa-2,4,7-trien-1-one
CID 91312681

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-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-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293076) is N-[(3S)-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-[(3S)-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-[(3S)-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-[(3S)-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-LBPRGKRZSA-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-/m0/s1.
What are the key properties of N-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(3S)-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-[(3S)-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 141293076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).