[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C22H28F3N3O2 — CID 69282977

IUPAC[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC4C(F)(F)F)cc3c2)CC1
InChIInChI=1S/C22H28F3N3O2/c1-14(2)27-10-7-16(8-11-27)30-17-5-6-18-15(12-17)13-19(26-18)21(29)28-9-3-4-20(28)22(23,24)25/h5-6,12-14,16,20,26H,3-4,7-11H2,1-2H3
InChIKeyOTMFZEUSLQXDJU-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.59
Rot. Bonds4

About [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 69282977) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID69282977
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC4C(F)(F)F)cc3c2)CC1
InChIInChI=1S/C22H28F3N3O2/c1-14(2)27-10-7-16(8-11-27)30-17-5-6-18-15(12-17)13-19(26-18)21(29)28-9-3-4-20(28)22(23,24)25/h5-6,12-14,16,20,26H,3-4,7-11H2,1-2H3
InChIKeyOTMFZEUSLQXDJU-UHFFFAOYSA-N
XLogP4.59
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 69282977) is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC4C(F)(F)F)cc3c2)CC1.
What is the InChIKey of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OTMFZEUSLQXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-14(2)27-10-7-16(8-11-27)30-17-5-6-18-15(12-17)13-19(26-18)21(29)28-9-3-4-20(28)22(23,24)25/h5-6,12-14,16,20,26H,3-4,7-11H2,1-2H3.
What are the key properties of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 423.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 69282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).