1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C16H19F3N2O2 — CID 113007799

IUPAC1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c1-2-14(22)21-9-7-11(8-10-21)15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23)
InChIKeyOYKNVGIWQANDGI-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.29
Rot. Bonds3

About 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 113007799) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID113007799
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O2/c1-2-14(22)21-9-7-11(8-10-21)15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23)
InChIKeyOYKNVGIWQANDGI-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-(4-methoxyphenyl)-1-(1-propanoylpiperidin-4-yl)piperidine-4-carboxamide
CID 42881212
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 42090586
N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9208737
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 113007799) is 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OYKNVGIWQANDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-2-14(22)21-9-7-11(8-10-21)15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23).
What are the key properties of 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 113007799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).