1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide

C18H20F3N3O2 — CID 71937354

IUPAC1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H20F3N3O2/c1-23-10-2-3-16(23)17(25)22-13-8-11-24(12-9-13)14-4-6-15(7-5-14)26-18(19,20)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyYWUPCWWPTMBZLC-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.32
Rot. Bonds4

About 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide

1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide (PubChem CID 71937354) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide
PubChem CID71937354
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H20F3N3O2/c1-23-10-2-3-16(23)17(25)22-13-8-11-24(12-9-13)14-4-6-15(7-5-14)26-18(19,20)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyYWUPCWWPTMBZLC-UHFFFAOYSA-N
XLogP3.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide (CID 71937354) is 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide?
The InChIKey is YWUPCWWPTMBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-23-10-2-3-16(23)17(25)22-13-8-11-24(12-9-13)14-4-6-15(7-5-14)26-18(19,20)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 71937354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).