2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C27H30F3N3O — CID 71465909

IUPAC2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCCCC1
InChIInChI=1S/C27H30F3N3O/c1-20-24(26(34)31-23-13-8-12-22(18-23)27(28,29)30)19-25(21-10-4-2-5-11-21)33(20)17-9-16-32-14-6-3-7-15-32/h2,4-5,8,10-13,18-19H,3,6-7,9,14-17H2,1H3,(H,31,34)
InChIKeyFDXOSOUYTCWDST-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.61
Rot. Bonds7

About 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 71465909) has the molecular formula C27H30F3N3O and a molecular weight of 469.55 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID71465909
Molecular FormulaC27H30F3N3O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCCCC1
InChIInChI=1S/C27H30F3N3O/c1-20-24(26(34)31-23-13-8-12-22(18-23)27(28,29)30)19-25(21-10-4-2-5-11-21)33(20)17-9-16-32-14-6-3-7-15-32/h2,4-5,8,10-13,18-19H,3,6-7,9,14-17H2,1H3,(H,31,34)
InChIKeyFDXOSOUYTCWDST-UHFFFAOYSA-N
XLogP6.61
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 71465909) is 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1CCCN1CCCCC1.
What is the InChIKey of 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is FDXOSOUYTCWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O/c1-20-24(26(34)31-23-13-8-12-22(18-23)27(28,29)30)19-25(21-10-4-2-5-11-21)33(20)17-9-16-32-14-6-3-7-15-32/h2,4-5,8,10-13,18-19H,3,6-7,9,14-17H2,1H3,(H,31,34).
What are the key properties of 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-(3-piperidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 71465909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).