N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

C29H26F3N3O — CID 10141143

IUPACN-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCN(Cc2ccnc3ccccc23)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H26F3N3O/c30-29(31,32)22-11-9-20(10-12-22)24-5-1-2-7-26(24)28(36)34-23-14-17-35(18-15-23)19-21-13-16-33-27-8-4-3-6-25(21)27/h1-13,16,23H,14-15,17-19H2,(H,34,36)
InChIKeyLVJFQHCIRQGJBW-UHFFFAOYSA-N
MW489.54 g/mol
LogP6.32
Rot. Bonds5

About N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10141143) has the molecular formula C29H26F3N3O and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10141143
Molecular FormulaC29H26F3N3O
Molecular Weight489.54 g/mol
Exact Mass489.20
IUPAC NameN-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NC1CCN(Cc2ccnc3ccccc23)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C29H26F3N3O/c30-29(31,32)22-11-9-20(10-12-22)24-5-1-2-7-26(24)28(36)34-23-14-17-35(18-15-23)19-21-13-16-33-27-8-4-3-6-25(21)27/h1-13,16,23H,14-15,17-19H2,(H,34,36)
InChIKeyLVJFQHCIRQGJBW-UHFFFAOYSA-N
XLogP6.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 10141143) is N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(NC1CCN(Cc2ccnc3ccccc23)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LVJFQHCIRQGJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O/c30-29(31,32)22-11-9-20(10-12-22)24-5-1-2-7-26(24)28(36)34-23-14-17-35(18-15-23)19-21-13-16-33-27-8-4-3-6-25(21)27/h1-13,16,23H,14-15,17-19H2,(H,34,36).
What are the key properties of N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.54 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10141143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).