N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C18H21F3N4O — CID 119558997

IUPACN-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)16-7-10-25(24-16)15-5-1-4-14(11-15)17(26)23-9-6-13-3-2-8-22-12-13/h1,4-5,7,10-11,13,22H,2-3,6,8-9,12H2,(H,23,26)
InChIKeyHVJYBSNEJMPVAS-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.01
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 119558997) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID119558997
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESO=C(NCCC1CCCNC1)c1cccc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C18H21F3N4O/c19-18(20,21)16-7-10-25(24-16)15-5-1-4-14(11-15)17(26)23-9-6-13-3-2-8-22-12-13/h1,4-5,7,10-11,13,22H,2-3,6,8-9,12H2,(H,23,26)
InChIKeyHVJYBSNEJMPVAS-UHFFFAOYSA-N
XLogP3.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120557791
1-(3-nitrophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-3-carboxamide
CID 119557613
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone;hydrochloride
CID 120657928
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 119558997) is N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is O=C(NCCC1CCCNC1)c1cccc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is HVJYBSNEJMPVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c19-18(20,21)16-7-10-25(24-16)15-5-1-4-14(11-15)17(26)23-9-6-13-3-2-8-22-12-13/h1,4-5,7,10-11,13,22H,2-3,6,8-9,12H2,(H,23,26).
What are the key properties of N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 366.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 119558997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).