N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H28F3N3O — CID 70672459

IUPACN-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCN(C)C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H28F3N3O/c1-4-14-5-6-17(16(13-14)19(20,21)22)25-10-7-15(8-11-25)18(26)23-9-12-24(2)3/h5-6,13,15H,4,7-12H2,1-3H3,(H,23,26)
InChIKeySJLDZHVUPZTPIJ-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 70672459) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID70672459
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCc1ccc(N2CCC(C(=O)NCCN(C)C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H28F3N3O/c1-4-14-5-6-17(16(13-14)19(20,21)22)25-10-7-15(8-11-25)18(26)23-9-12-24(2)3/h5-6,13,15H,4,7-12H2,1-3H3,(H,23,26)
InChIKeySJLDZHVUPZTPIJ-UHFFFAOYSA-N
XLogP3.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 70672459) is N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCc1ccc(N2CCC(C(=O)NCCN(C)C)CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is SJLDZHVUPZTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-4-14-5-6-17(16(13-14)19(20,21)22)25-10-7-15(8-11-25)18(26)23-9-12-24(2)3/h5-6,13,15H,4,7-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[4-ethyl-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 70672459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).