(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone

C20H27F3N2O — CID 3160471

IUPAC(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C20H27F3N2O/c1-15-3-2-10-25(13-15)19(26)17-8-11-24(12-9-17)14-16-4-6-18(7-5-16)20(21,22)23/h4-7,15,17H,2-3,8-14H2,1H3
InChIKeySMTJULKZAXWLGY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.18
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone (PubChem CID 3160471) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
PubChem CID3160471
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESCC1CCCN(C(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C20H27F3N2O/c1-15-3-2-10-25(13-15)19(26)17-8-11-24(12-9-17)14-16-4-6-18(7-5-16)20(21,22)23/h4-7,15,17H,2-3,8-14H2,1H3
InChIKeySMTJULKZAXWLGY-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone 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-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone (CID 3160471) is (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone is CC1CCCN(C(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The InChIKey is SMTJULKZAXWLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-15-3-2-10-25(13-15)19(26)17-8-11-24(12-9-17)14-16-4-6-18(7-5-16)20(21,22)23/h4-7,15,17H,2-3,8-14H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 3160471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).