(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C18H24N2O2 — CID 158055671

IUPAC(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-18(2,3)20-12-15(14-6-4-5-7-16(14)20)17(22)19-10-8-13(21)9-11-19/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyFKADWPHFTVCBEE-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.99
Rot. Bonds1

About (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 158055671) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID158055671
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC(O)CC2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-18(2,3)20-12-15(14-6-4-5-7-16(14)20)17(22)19-10-8-13(21)9-11-19/h4-7,12-13,21H,8-11H2,1-3H3
InChIKeyFKADWPHFTVCBEE-UHFFFAOYSA-N
XLogP2.99
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-tert-butylindole-4-carboxylic acid
CID 68840218
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
CID 171512086

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 158055671) is (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is CC(C)(C)n1cc(C(=O)N2CCC(O)CC2)c2ccccc21.
What is the InChIKey of (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is FKADWPHFTVCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)20-12-15(14-6-4-5-7-16(14)20)17(22)19-10-8-13(21)9-11-19/h4-7,12-13,21H,8-11H2,1-3H3.
What are the key properties of (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 300.40 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 158055671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).