N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide

C18H23F3N2O2 — CID 108555185

IUPACN-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
SMILESCCCCC(=O)N1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-2-3-8-16(24)23-11-9-13(10-12-23)22-17(25)14-6-4-5-7-15(14)18(19,20)21/h4-7,13H,2-3,8-12H2,1H3,(H,22,25)
InChIKeyVGDNSSCTVVZRPZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.62
Rot. Bonds5

About N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide

N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide (PubChem CID 108555185) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
PubChem CID108555185
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
SMILESCCCCC(=O)N1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H23F3N2O2/c1-2-3-8-16(24)23-11-9-13(10-12-23)22-17(25)14-6-4-5-7-15(14)18(19,20)21/h4-7,13H,2-3,8-12H2,1H3,(H,22,25)
InChIKeyVGDNSSCTVVZRPZ-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
N-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;prop-1-ene
CID 142009385
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108560135
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215

Frequently Asked Questions

What is the IUPAC name of N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide (CID 108555185) is N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide is CCCCC(=O)N1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is VGDNSSCTVVZRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-2-3-8-16(24)23-11-9-13(10-12-23)22-17(25)14-6-4-5-7-15(14)18(19,20)21/h4-7,13H,2-3,8-12H2,1H3,(H,22,25).
What are the key properties of N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide?
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).