[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

C19H26N2O2 — CID 25210756

IUPAC[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1
InChIInChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3
InChIKeyQGUMEWLTIYRZFH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.49
Rot. Bonds3

About [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 25210756) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
PubChem CID25210756
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1
InChIInChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3
InChIKeyQGUMEWLTIYRZFH-UHFFFAOYSA-N
XLogP3.49
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (CID 25210756) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCC(CC(C)(C)O)CC3)cc2c1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is QGUMEWLTIYRZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 25210756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).