3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride

C17H24ClF3N2O2 — CID 119698638

IUPAC3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-2-4-15(5-3-14)24-11-17(18,19)20;/h2-5,12-13,21H,6-11H2,1H3,(H,22,23);1H
InChIKeyROWOULQIKVCDRU-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.01
Rot. Bonds6

About 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119698638) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
PubChem CID119698638
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC Name3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-2-4-15(5-3-14)24-11-17(18,19)20;/h2-5,12-13,21H,6-11H2,1H3,(H,22,23);1H
InChIKeyROWOULQIKVCDRU-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
methyl 3-[4-(3-piperidin-4-ylbutanoylamino)phenyl]propanoate;hydrochloride
CID 119775698
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride (CID 119698638) is 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride is CC(CC(=O)Nc1ccc(OCC(F)(F)F)cc1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is ROWOULQIKVCDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c1-12(13-6-8-21-9-7-13)10-16(23)22-14-2-4-15(5-3-14)24-11-17(18,19)20;/h2-5,12-13,21H,6-11H2,1H3,(H,22,23);1H.
What are the key properties of 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119698638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).