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

C17H24ClF3N2O — CID 119696658

IUPAC3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(14-6-8-21-9-7-14)10-16(23)22-11-13-2-4-15(5-3-13)17(18,19)20;/h2-5,12,14,21H,6-11H2,1H3,(H,22,23);1H
InChIKeyWLCQJVOFYDUSNA-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.77
Rot. Bonds5

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

3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119696658) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID119696658
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC Name3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(14-6-8-21-9-7-14)10-16(23)22-11-13-2-4-15(5-3-13)17(18,19)20;/h2-5,12,14,21H,6-11H2,1H3,(H,22,23);1H
InChIKeyWLCQJVOFYDUSNA-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119694525
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride (CID 119696658) is 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride is CC(CC(=O)NCc1ccc(C(F)(F)F)cc1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is WLCQJVOFYDUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-12(14-6-8-21-9-7-14)10-16(23)22-11-13-2-4-15(5-3-13)17(18,19)20;/h2-5,12,14,21H,6-11H2,1H3,(H,22,23);1H.
What are the key properties of 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119696658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).