3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide

C15H24F3N3O — CID 138011792

IUPAC3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
SMILESO=C(CCC1CCNCC1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2
InChIInChI=1S/C15H24F3N3O/c16-15(17,18)14-7-13(14,8-20-10-14)9-21-12(22)2-1-11-3-5-19-6-4-11/h11,19-20H,1-10H2,(H,21,22)/t13-,14-/m0/s1
InChIKeyPTLHTTJMLNJISU-KBPBESRZSA-N
MW319.37 g/mol
LogP1.42
Rot. Bonds5

About 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide

3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide (PubChem CID 138011792) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
PubChem CID138011792
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
SMILESO=C(CCC1CCNCC1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2
InChIInChI=1S/C15H24F3N3O/c16-15(17,18)14-7-13(14,8-20-10-14)9-21-12(22)2-1-11-3-5-19-6-4-11/h11,19-20H,1-10H2,(H,21,22)/t13-,14-/m0/s1
InChIKeyPTLHTTJMLNJISU-KBPBESRZSA-N
XLogP1.42
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide 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 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The IUPAC name of 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide (CID 138011792) is 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide is O=C(CCC1CCNCC1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2.
What is the InChIKey of 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
The InChIKey is PTLHTTJMLNJISU-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24F3N3O/c16-15(17,18)14-7-13(14,8-20-10-14)9-21-12(22)2-1-11-3-5-19-6-4-11/h11,19-20H,1-10H2,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide?
3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide has a molecular weight of 319.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide is sourced from PubChem (CID 138011792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).