N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

C19H28ClF3N2O2 — CID 120887469

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-14(15-3-5-16(6-4-15)19(20,21)22)11-17(25)24-12-18(13-26-2)7-9-23-10-8-18;/h3-6,14,23H,7-13H2,1-2H3,(H,24,25);1H
InChIKeyYVAZXCKEVSWYMU-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.75
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 120887469) has the molecular formula C19H28ClF3N2O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID120887469
Molecular FormulaC19H28ClF3N2O2
Molecular Weight408.89 g/mol
Exact Mass408.18
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl
InChIInChI=1S/C19H27F3N2O2.ClH/c1-14(15-3-5-16(6-4-15)19(20,21)22)11-17(25)24-12-18(13-26-2)7-9-23-10-8-18;/h3-6,14,23H,7-13H2,1-2H3,(H,24,25);1H
InChIKeyYVAZXCKEVSWYMU-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 120620296
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120890400

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 120887469) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is COCC1(CNC(=O)CC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is YVAZXCKEVSWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2.ClH/c1-14(15-3-5-16(6-4-15)19(20,21)22)11-17(25)24-12-18(13-26-2)7-9-23-10-8-18;/h3-6,14,23H,7-13H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 408.89 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120887469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).