N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

C18H22ClF3N4O — CID 119559473

IUPACN-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O.ClH/c19-18(20,21)16-7-10-24-25(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);1H
InChIKeyIZOKLJWYLPCJTN-UHFFFAOYSA-N
MW402.85 g/mol
LogP3.43
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (PubChem CID 119559473) has the molecular formula C18H22ClF3N4O and a molecular weight of 402.85 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
PubChem CID119559473
Molecular FormulaC18H22ClF3N4O
Molecular Weight402.85 g/mol
Exact Mass402.14
IUPAC NameN-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4O.ClH/c19-18(20,21)16-7-10-24-25(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);1H
InChIKeyIZOKLJWYLPCJTN-UHFFFAOYSA-N
XLogP3.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-3-yl-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119429223
N-(2-piperidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119558997
3-(5-phenylpyrazol-1-yl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460163
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
N-(2-pyrrolidin-3-ylethyl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119537660
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
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride (CID 119559473) is N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cccc(-n2nccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
The InChIKey is IZOKLJWYLPCJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O.ClH/c19-18(20,21)16-7-10-24-25(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);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride has a molecular weight of 402.85 g/mol, XLogP of 3.43, 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-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride is sourced from PubChem (CID 119559473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).