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

C16H22ClF3N2O — CID 119671265

IUPAC3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(12-4-3-7-20-10-12)8-15(22)21-14-6-2-5-13(9-14)16(17,18)19;/h2,5-6,9,11-12,20H,3-4,7-8,10H2,1H3,(H,21,22);1H
InChIKeyHKAUNDUOMDRVKI-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.09
Rot. Bonds4

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

3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119671265) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119671265
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC Name3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCNC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(12-4-3-7-20-10-12)8-15(22)21-14-6-2-5-13(9-14)16(17,18)19;/h2,5-6,9,11-12,20H,3-4,7-8,10H2,1H3,(H,21,22);1H
InChIKeyHKAUNDUOMDRVKI-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119671265) is 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is HKAUNDUOMDRVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11(12-4-3-7-20-10-12)8-15(22)21-14-6-2-5-13(9-14)16(17,18)19;/h2,5-6,9,11-12,20H,3-4,7-8,10H2,1H3,(H,21,22);1H.
What are the key properties of 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119671265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).