4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

C19H24ClF3N4O2 — CID 120625185

IUPAC4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H23F3N4O2.ClH/c1-28-13-18(7-9-23-10-8-18)17(27)24-12-14-2-4-15(5-3-14)26-11-6-16(25-26)19(20,21)22;/h2-6,11,23H,7-10,12-13H2,1H3,(H,24,27);1H
InChIKeySNXREWOEVKPFSH-UHFFFAOYSA-N
MW432.87 g/mol
LogP2.95
Rot. Bonds6

About 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride

4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120625185) has the molecular formula C19H24ClF3N4O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120625185
Molecular FormulaC19H24ClF3N4O2
Molecular Weight432.87 g/mol
Exact Mass432.15
IUPAC Name4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCNCC1.Cl
InChIInChI=1S/C19H23F3N4O2.ClH/c1-28-13-18(7-9-23-10-8-18)17(27)24-12-14-2-4-15(5-3-14)26-11-6-16(25-26)19(20,21)22;/h2-6,11,23H,7-10,12-13H2,1H3,(H,24,27);1H
InChIKeySNXREWOEVKPFSH-UHFFFAOYSA-N
XLogP2.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746103
3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
CID 119746107
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623903
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
2-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 138994269
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120625185) is 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is SNXREWOEVKPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2.ClH/c1-28-13-18(7-9-23-10-8-18)17(27)24-12-14-2-4-15(5-3-14)26-11-6-16(25-26)19(20,21)22;/h2-6,11,23H,7-10,12-13H2,1H3,(H,24,27);1H.
What are the key properties of 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 432.87 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).