1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C24H26F3N3O2 — CID 59727867

IUPAC1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C24H26F3N3O2/c1-32-22-5-4-19(24(25,26)27)14-17(22)6-10-29-11-8-20(9-12-29)30-13-7-16-2-3-18(23(28)31)15-21(16)30/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,28,31)
InChIKeyHNNGXARPCRXMBR-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.65
Rot. Bonds6

About 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727867) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727867
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C24H26F3N3O2/c1-32-22-5-4-19(24(25,26)27)14-17(22)6-10-29-11-8-20(9-12-29)30-13-7-16-2-3-18(23(28)31)15-21(16)30/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,28,31)
InChIKeyHNNGXARPCRXMBR-UHFFFAOYSA-N
XLogP4.65
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727867) is 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(C(F)(F)F)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is HNNGXARPCRXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-32-22-5-4-19(24(25,26)27)14-17(22)6-10-29-11-8-20(9-12-29)30-13-7-16-2-3-18(23(28)31)15-21(16)30/h2-5,7,13-15,20H,6,8-12H2,1H3,(H2,28,31).
What are the key properties of 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).