4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

C17H24ClF3N2O2 — CID 120620295

IUPAC4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16;/h3-6,12,21H,7-11H2,1-2H3,(H,22,23);1H
InChIKeyAIGSTRDBDPWFQM-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.32
Rot. Bonds5

About 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120620295) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120620295
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC Name4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16;/h3-6,12,21H,7-11H2,1-2H3,(H,22,23);1H
InChIKeyAIGSTRDBDPWFQM-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (CID 120620295) is 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AIGSTRDBDPWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16;/h3-6,12,21H,7-11H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).