N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide

C22H21F3N4O2 — CID 99740855

IUPACN-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-8-16(9-11-18)21(30)26-17-7-4-12-29(14-17)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyYUPMLNHGMYPKKI-QGZVFWFLSA-N
MW430.43 g/mol
LogP4.37
Rot. Bonds5

About N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide

N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 99740855) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide
PubChem CID99740855
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-8-16(9-11-18)21(30)26-17-7-4-12-29(14-17)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,26,30)(H,27,28)/t17-/m1/s1
InChIKeyYUPMLNHGMYPKKI-QGZVFWFLSA-N
XLogP4.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 99740855) is N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide is O=C(N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is YUPMLNHGMYPKKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)31-18-10-8-16(9-11-18)21(30)26-17-7-4-12-29(14-17)20-13-19(27-28-20)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,26,30)(H,27,28)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide?
N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 430.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 99740855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).