N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C17H21F3N2O3 — CID 78854527

IUPACN-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)14-4-2-13(3-5-14)16(25)22-9-6-12(7-10-22)15(24)21-8-1-11-23/h2-5,12,23H,1,6-11H2,(H,21,24)
InChIKeyRACVPYOKHYQNPU-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.06
Rot. Bonds5

About N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 78854527) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID78854527
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC NameN-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3N2O3/c18-17(19,20)14-4-2-13(3-5-14)16(25)22-9-6-12(7-10-22)15(24)21-8-1-11-23/h2-5,12,23H,1,6-11H2,(H,21,24)
InChIKeyRACVPYOKHYQNPU-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 86915487
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55486323
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
N-[2-(tert-butylamino)-2-oxoethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 25471747
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
CID 55934156
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 47081216
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-[(2-methylphenyl)methyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26114390
N-(3-phenylprop-2-ynyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55510350

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 78854527) is N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(NCCCO)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is RACVPYOKHYQNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c18-17(19,20)14-4-2-13(3-5-14)16(25)22-9-6-12(7-10-22)15(24)21-8-1-11-23/h2-5,12,23H,1,6-11H2,(H,21,24).
What are the key properties of N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 78854527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).