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

C18H24N2O2 — CID 25210766

IUPAC[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N2O2/c1-18(2,22)12-13-7-9-20(10-8-13)17(21)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,19,22H,7-10,12H2,1-2H3
InChIKeyIINOFUOFXJJMDX-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.18
Rot. Bonds3

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

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 25210766) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID25210766
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N2O2/c1-18(2,22)12-13-7-9-20(10-8-13)17(21)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,19,22H,7-10,12H2,1-2H3
InChIKeyIINOFUOFXJJMDX-UHFFFAOYSA-N
XLogP3.18
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Deoxybrevianamide E
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Ezm-0414
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[3H]Devazepide
CID 59751
N-Phenyl-1H-indole-2-carboxamide
CID 589138
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
N-Benzyl-1H-indole-2-carboxamide
CID 8023988

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 25210766) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone is CC(C)(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is IINOFUOFXJJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,22)12-13-7-9-20(10-8-13)17(21)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,19,22H,7-10,12H2,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 3.18, 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]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 25210766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).