N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C19H34F3N3O — CID 91511901

IUPACN-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)CC2C(C)(C)C)CC1
InChIInChI=1S/C19H34F3N3O/c1-6-24-11-7-14(8-12-24)25(17(26)19(20,21)22)16-9-10-23(5)13-15(16)18(2,3)4/h14-16H,6-13H2,1-5H3
InChIKeyMSFVNXLCLYIMHM-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.23
Rot. Bonds3

About N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 91511901) has the molecular formula C19H34F3N3O and a molecular weight of 377.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID91511901
Molecular FormulaC19H34F3N3O
Molecular Weight377.50 g/mol
Exact Mass377.27
IUPAC NameN-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCCN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)CC2C(C)(C)C)CC1
InChIInChI=1S/C19H34F3N3O/c1-6-24-11-7-14(8-12-24)25(17(26)19(20,21)22)16-9-10-23(5)13-15(16)18(2,3)4/h14-16H,6-13H2,1-5H3
InChIKeyMSFVNXLCLYIMHM-UHFFFAOYSA-N
XLogP3.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 91511901) is N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CCN1CCC(N(C(=O)C(F)(F)F)C2CCN(C)CC2C(C)(C)C)CC1.
What is the InChIKey of N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is MSFVNXLCLYIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3O/c1-6-24-11-7-14(8-12-24)25(17(26)19(20,21)22)16-9-10-23(5)13-15(16)18(2,3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 377.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91511901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).