N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide

C14H20F3N3O — CID 70845371

IUPACN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C2=CC=C(C(F)(F)F)CN2)CC1
InChIInChI=1S/C14H20F3N3O/c1-2-13(21)19-11-5-7-20(8-6-11)12-4-3-10(9-18-12)14(15,16)17/h3-4,11,18H,2,5-9H2,1H3,(H,19,21)
InChIKeyPZQRBBBWXJTRCZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.91
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide

N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide (PubChem CID 70845371) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide
PubChem CID70845371
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(C2=CC=C(C(F)(F)F)CN2)CC1
InChIInChI=1S/C14H20F3N3O/c1-2-13(21)19-11-5-7-20(8-6-11)12-4-3-10(9-18-12)14(15,16)17/h3-4,11,18H,2,5-9H2,1H3,(H,19,21)
InChIKeyPZQRBBBWXJTRCZ-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]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 N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide (CID 70845371) is N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(C2=CC=C(C(F)(F)F)CN2)CC1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide?
The InChIKey is PZQRBBBWXJTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-13(21)19-11-5-7-20(8-6-11)12-4-3-10(9-18-12)14(15,16)17/h3-4,11,18H,2,5-9H2,1H3,(H,19,21).
What are the key properties of N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide?
N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide has a molecular weight of 303.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 70845371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).