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

C21H29N3O3 — CID 11566918

IUPAC(3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1
InChIInChI=1S/C21H29N3O3/c1-14(2)23-9-6-17(7-10-23)27-18-3-4-19-15(11-18)12-20(22-19)21(26)24-8-5-16(25)13-24/h3-4,11-12,14,16-17,22,25H,5-10,13H2,1-2H3
InChIKeyOOYIGWVMYVWDDF-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.63
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (PubChem CID 11566918) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
PubChem CID11566918
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1
InChIInChI=1S/C21H29N3O3/c1-14(2)23-9-6-17(7-10-23)27-18-3-4-19-15(11-18)12-20(22-19)21(26)24-8-5-16(25)13-24/h3-4,11-12,14,16-17,22,25H,5-10,13H2,1-2H3
InChIKeyOOYIGWVMYVWDDF-UHFFFAOYSA-N
XLogP2.63
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone (CID 11566918) is (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(O)C4)cc3c2)CC1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
The InChIKey is OOYIGWVMYVWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)23-9-6-17(7-10-23)27-18-3-4-19-15(11-18)12-20(22-19)21(26)24-8-5-16(25)13-24/h3-4,11-12,14,16-17,22,25H,5-10,13H2,1-2H3.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone is sourced from PubChem (CID 11566918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).