4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide

C16H21F3N2O — CID 120598618

IUPAC4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
SMILESCC1CC(NC(=O)CC(c2ccccc2)C(F)(F)F)CCN1
InChIInChI=1S/C16H21F3N2O/c1-11-9-13(7-8-20-11)21-15(22)10-14(16(17,18)19)12-5-3-2-4-6-12/h2-6,11,13-14,20H,7-10H2,1H3,(H,21,22)
InChIKeyHRXRYDMXJRYRSI-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.98
Rot. Bonds4

About 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide

4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide (PubChem CID 120598618) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
PubChem CID120598618
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
SMILESCC1CC(NC(=O)CC(c2ccccc2)C(F)(F)F)CCN1
InChIInChI=1S/C16H21F3N2O/c1-11-9-13(7-8-20-11)21-15(22)10-14(16(17,18)19)12-5-3-2-4-6-12/h2-6,11,13-14,20H,7-10H2,1H3,(H,21,22)
InChIKeyHRXRYDMXJRYRSI-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
CID 169209379
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600141
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
N-[1-(4-cyanophenyl)piperidin-4-yl]-4,4,4-trifluoro-3-phenylbutanamide
CID 86888022

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide (CID 120598618) is 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide is CC1CC(NC(=O)CC(c2ccccc2)C(F)(F)F)CCN1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide?
The InChIKey is HRXRYDMXJRYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-11-9-13(7-8-20-11)21-15(22)10-14(16(17,18)19)12-5-3-2-4-6-12/h2-6,11,13-14,20H,7-10H2,1H3,(H,21,22).
What are the key properties of 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide?
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide has a molecular weight of 314.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide is sourced from PubChem (CID 120598618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).