N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide

C20H27F3N2O2 — CID 55718225

IUPACN-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-3-4-11-24-19(27)16-9-12-25(13-10-16)18(26)14-15-5-7-17(8-6-15)20(21,22)23/h5-8,16H,2-4,9-14H2,1H3,(H,24,27)
InChIKeyMVFAGXCAHZHKFC-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.79
Rot. Bonds7

About N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide

N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide (PubChem CID 55718225) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
PubChem CID55718225
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O2/c1-2-3-4-11-24-19(27)16-9-12-25(13-10-16)18(26)14-15-5-7-17(8-6-15)20(21,22)23/h5-8,16H,2-4,9-14H2,1H3,(H,24,27)
InChIKeyMVFAGXCAHZHKFC-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-(2-naphthalen-1-ylacetyl)-N-pentylpiperidine-4-carboxamide
CID 55718134
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119646509
N-(3-hydroxypropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 78854527
1-[2-(4-fluorophenyl)sulfanylacetyl]-N-pentylpiperidine-4-carboxamide
CID 55717756
1-[4-(aminomethyl)benzoyl]-N-pentylpiperidine-4-carboxamide
CID 119287815
N-butyl-1-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 86984105
N-pentyl-1-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoyl]piperidine-4-carboxamide
CID 55838634
N-pentyl-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 55856960
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide (CID 55718225) is N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide?
The InChIKey is MVFAGXCAHZHKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-2-3-4-11-24-19(27)16-9-12-25(13-10-16)18(26)14-15-5-7-17(8-6-15)20(21,22)23/h5-8,16H,2-4,9-14H2,1H3,(H,24,27).
What are the key properties of N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide?
N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55718225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).