N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C17H24F3N3O — CID 120837271

IUPACN-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C17H24F3N3O/c1-12-9-15(17(18,19)20)5-4-13(12)10-23-8-2-3-14(11-23)16(24)22-7-6-21/h4-5,9,14H,2-3,6-8,10-11,21H2,1H3,(H,22,24)
InChIKeyIFOXIZCLNJLIBH-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.30
Rot. Bonds5

About N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 120837271) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID120837271
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1CN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C17H24F3N3O/c1-12-9-15(17(18,19)20)5-4-13(12)10-23-8-2-3-14(11-23)16(24)22-7-6-21/h4-5,9,14H,2-3,6-8,10-11,21H2,1H3,(H,22,24)
InChIKeyIFOXIZCLNJLIBH-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
N-(2-aminoethyl)-1-[(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxamide
CID 63325355
N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
N-(2-aminoethyl)-1-[(2-chloro-4-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916869
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 103815402
N-(2-aminoethyl)-1-[(4-ethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917061
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
N-(2-aminoethyl)-1-[(4-bromo-3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81431674

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 120837271) is N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is Cc1cc(C(F)(F)F)ccc1CN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IFOXIZCLNJLIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/c1-12-9-15(17(18,19)20)5-4-13(12)10-23-8-2-3-14(11-23)16(24)22-7-6-21/h4-5,9,14H,2-3,6-8,10-11,21H2,1H3,(H,22,24).
What are the key properties of N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 120837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).